dimethyl-[[4-[3-(1-propyl-5-pyrrolidin-1-ylsulfonyl-benzimidazol-2-yl)propanoylamino]phenyl]methyl]azanium

Systemtic Name: dimethyl-[[4-[3-(1-propyl-5-pyrrolidin-1-ylsulfonyl-benzimidazol-2-yl)propanoylamino]phenyl]methyl]azanium Openeye Name: dimethyl-[[4-[3-(1-propyl-5-pyrrolidin-1-ylsulfonyl-benzimidazol-2-yl)propanoylamino]phenyl]methyl]ammonium CAS Name: dimethyl-[[4-[[1-oxo-3-[1-propyl-5-(1-pyrrolidinylsulfonyl)-2-benzimidazolyl]propyl]amino]phenyl]methyl]ammonium IUPAC Name: dimethyl-[[4-[3-(1-propyl-5-pyrrolidin-1-ylsulfonylbenzimidazol-2-yl)propanoylamino]phenyl]methyl]azanium Traditional Name: dimethyl-[4-[3-(1-propyl-5-pyrrolidinosulfonyl-benzimidazol-2-yl)propanoylamino]benzyl]ammonium Formula: C26H36N5O3S+ MolecularWeight: 498.66074

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCCC3)N=C1CCC(=O)NC4=CC=C(C=C4)C[NH+](C)C

Isomeric SMILES

CCCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCCC3)N=C1CCC(=O)NC4=CC=C(C=C4)C[NH+](C)C

InChI

InChI=1S/C26H35N5O3S/c1-4-15-31-24-12-11-22(35(33,34)30-16-5-6-17-30)18-23(24)28-25(31)13-14-26(32)27-21-9-7-20(8-10-21)19-29(2)3/h7-12,18H,4-6,13-17,19H2,1-3H3,(H,27,32)/p+1