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

Systemtic Name: methyl 2-[2-azanylidene-3-(2-pyrrolidin-1-ium-1-ylethyl)benzimidazol-1-yl]ethanoate Openeye Name: methyl 2-[2-imino-3-(2-pyrrolidin-1-ium-1-ylethyl)benzimidazol-1-yl]acetate CAS Name: 2-[2-imino-3-[2-(1-pyrrolidin-1-iumyl)ethyl]-1-benzimidazolyl]acetic acid methyl ester IUPAC Name: methyl 2-[2-imino-3-(2-pyrrolidin-1-ium-1-ylethyl)benzimidazol-1-yl]acetate Traditional Name: 2-[2-imino-3-(2-pyrrolidin-1-ium-1-ylethyl)benzimidazol-1-yl]acetic acid methyl ester Formula: C16H23N4O2+ MolecularWeight: 303.37942

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CN1C2=CC=CC=C2N(C1=N)CC[NH+]3CCCC3

Isomeric SMILES

COC(=O)CN1C2=CC=CC=C2N(C1=N)CC[NH+]3CCCC3

InChI

InChI=1S/C16H22N4O2/c1-22-15(21)12-20-14-7-3-2-6-13(14)19(16(20)17)11-10-18-8-4-5-9-18/h2-3,6-7,17H,4-5,8-12H2,1H3/p+1