3-[2-[(E)-3-[1-(2-carboxyethyl)-3-ethyl-2H-benzimidazol-2-yl]prop-1-enyl]-3-ethyl-benzimidazol-1-ium-1-yl]propanoate

Systemtic Name: 3-[2-[(E)-3-[1-(2-carboxyethyl)-3-ethyl-2H-benzimidazol-2-yl]prop-1-enyl]-3-ethyl-benzimidazol-1-ium-1-yl]propanoate Openeye Name: 3-[2-[(E)-3-[1-(2-carboxyethyl)-3-ethyl-2H-benzimidazol-2-yl]prop-1-enyl]-3-ethyl-benzimidazol-1-ium-1-yl]propanoate CAS Name: 3-[2-[(E)-3-[1-(2-carboxyethyl)-3-ethyl-2H-benzimidazol-2-yl]prop-1-enyl]-3-ethyl-1-benzimidazol-1-iumyl]propanoate IUPAC Name: 3-[2-[(E)-3-[1-(2-carboxyethyl)-3-ethyl-2H-benzimidazol-2-yl]prop-1-enyl]-3-ethylbenzimidazol-1-ium-1-yl]propanoate Traditional Name: 3-[2-[(E)-3-[1-(2-carboxyethyl)-3-ethyl-2H-benzimidazol-2-yl]prop-1-enyl]-3-ethyl-benzimidazol-1-ium-1-yl]propionate Formula: C27H32N4O4 MolecularWeight: 476.56738

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(N(C2=CC=CC=C21)CCC(=O)O)CC=CC3=[N+](C4=CC=CC=C4N3CC)CCC(=O)[O-]

Isomeric SMILES

CCN1C(N(C2=CC=CC=C21)CCC(=O)O)C/C=C/C3=[N+](C4=CC=CC=C4N3CC)CCC(=O)[O-]

InChI

InChI=1S/C27H32N4O4/c1-3-28-20-10-5-7-12-22(20)30(18-16-26(32)33)24(28)14-9-15-25-29(4-2)21-11-6-8-13-23(21)31(25)19-17-27(34)35/h5-14,25H,3-4,15-19H2,1-2H3,(H-,32,33,34,35)/b14-9+