3-[3-methyl-2-[(E,3Z)-3-[1-methyl-5-pyrrolidin-1-ylsulfonyl-3-(3-sulfopropyl)benzimidazol-2-ylidene]prop-1-enyl]-6-pyrrolidin-1-ylsulfonyl-benzimidazol-3-ium-1-yl]propane-1-sulfonic acid

Systemtic Name: 3-[3-methyl-2-[(E,3Z)-3-[1-methyl-5-pyrrolidin-1-ylsulfonyl-3-(3-sulfopropyl)benzimidazol-2-ylidene]prop-1-enyl]-6-pyrrolidin-1-ylsulfonyl-benzimidazol-3-ium-1-yl]propane-1-sulfonic acid Openeye Name: 3-[3-methyl-2-[(E,3Z)-3-[1-methyl-5-pyrrolidin-1-ylsulfonyl-3-(3-sulfopropyl)benzimidazol-2-ylidene]prop-1-enyl]-6-pyrrolidin-1-ylsulfonyl-benzimidazol-3-ium-1-yl]propane-1-sulfonic acid CAS Name: 3-[3-methyl-2-[(E,3Z)-3-[1-methyl-5-(1-pyrrolidinylsulfonyl)-3-(3-sulfopropyl)-2-benzimidazolylidene]prop-1-enyl]-6-(1-pyrrolidinylsulfonyl)-1-benzimidazol-3-iumyl]-1-propanesulfonic acid IUPAC Name: 3-[3-methyl-2-[(E,3Z)-3-[1-methyl-5-pyrrolidin-1-ylsulfonyl-3-(3-sulfopropyl)benzimidazol-2-ylidene]prop-1-enyl]-6-pyrrolidin-1-ylsulfonylbenzimidazol-3-ium-1-yl]propane-1-sulfonic acid Traditional Name: 3-[3-methyl-2-[(E,3Z)-3-[1-methyl-5-pyrrolidinosulfonyl-3-(3-sulfopropyl)benzimidazol-2-ylidene]prop-1-enyl]-6-pyrrolidinosulfonyl-benzimidazol-3-ium-1-yl]propane-1-sulfonic acid Formula: C33H45N6O10S4+ MolecularWeight: 814.0046

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)S(=O)(=O)N3CCCC3)N(C1=CC=CC4=[N+](C5=C(N4CCCS(=O)(=O)O)C=C(C=C5)S(=O)(=O)N6CCCC6)C)CCCS(=O)(=O)O

Isomeric SMILES

CN\1C2=C(C=C(C=C2)S(=O)(=O)N3CCCC3)N(/C1=C\C=C\C4=[N+](C5=C(N4CCCS(=O)(=O)O)C=C(C=C5)S(=O)(=O)N6CCCC6)C)CCCS(=O)(=O)O

InChI

InChI=1S/C33H44N6O10S4/c1-34-28-14-12-26(52(46,47)36-16-3-4-17-36)24-30(28)38(20-8-22-50(40,41)42)32(34)10-7-11-33-35(2)29-15-13-27(53(48,49)37-18-5-6-19-37)25-31(29)39(33)21-9-23-51(43,44)45/h7,10-15,24-25H,3-6,8-9,16-23H2,1-2H3,(H-,40,41,42,43,44,45)/p+1