methyl 2-[4-[2-[2-azanylidene-3-(2-pyrrolidin-1-ium-1-ylethyl)benzimidazol-1-yl]ethanoyl]phenoxy]ethanoate

Systemtic Name: methyl 2-[4-[2-[2-azanylidene-3-(2-pyrrolidin-1-ium-1-ylethyl)benzimidazol-1-yl]ethanoyl]phenoxy]ethanoate Openeye Name: methyl 2-[4-[2-[2-imino-3-(2-pyrrolidin-1-ium-1-ylethyl)benzimidazol-1-yl]acetyl]phenoxy]acetate CAS Name: 2-[4-[2-[2-imino-3-[2-(1-pyrrolidin-1-iumyl)ethyl]-1-benzimidazolyl]-1-oxoethyl]phenoxy]acetic acid methyl ester IUPAC Name: methyl 2-[4-[2-[2-imino-3-(2-pyrrolidin-1-ium-1-ylethyl)benzimidazol-1-yl]acetyl]phenoxy]acetate Traditional Name: 2-[4-[2-[2-imino-3-(2-pyrrolidin-1-ium-1-ylethyl)benzimidazol-1-yl]acetyl]phenoxy]acetic acid methyl ester Formula: C24H29N4O4+ MolecularWeight: 437.51146

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)COC1=CC=C(C=C1)C(=O)CN2C3=CC=CC=C3N(C2=N)CC[NH+]4CCCC4

Isomeric SMILES

COC(=O)COC1=CC=C(C=C1)C(=O)CN2C3=CC=CC=C3N(C2=N)CC[NH+]4CCCC4

InChI

InChI=1S/C24H28N4O4/c1-31-23(30)17-32-19-10-8-18(9-11-19)22(29)16-28-21-7-3-2-6-20(21)27(24(28)25)15-14-26-12-4-5-13-26/h2-3,6-11,25H,4-5,12-17H2,1H3/p+1