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

Systemtic Name: methyl 2-[4-[2-[2-azanylidene-3-(2-piperidin-1-ium-1-ylethyl)benzimidazol-1-yl]ethanoyl]phenoxy]ethanoate Openeye Name: methyl 2-[4-[2-[2-imino-3-(2-piperidin-1-ium-1-ylethyl)benzimidazol-1-yl]acetyl]phenoxy]acetate CAS Name: 2-[4-[2-[2-imino-3-[2-(1-piperidin-1-iumyl)ethyl]-1-benzimidazolyl]-1-oxoethyl]phenoxy]acetic acid methyl ester IUPAC Name: methyl 2-[4-[2-[2-imino-3-(2-piperidin-1-ium-1-ylethyl)benzimidazol-1-yl]acetyl]phenoxy]acetate Traditional Name: 2-[4-[2-[2-imino-3-(2-piperidin-1-ium-1-ylethyl)benzimidazol-1-yl]acetyl]phenoxy]acetic acid methyl ester Formula: C25H31N4O4+ MolecularWeight: 451.53804

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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+]4CCCCC4

Isomeric SMILES

COC(=O)COC1=CC=C(C=C1)C(=O)CN2C3=CC=CC=C3N(C2=N)CC[NH+]4CCCCC4

InChI

InChI=1S/C25H30N4O4/c1-32-24(31)18-33-20-11-9-19(10-12-20)23(30)17-29-22-8-4-3-7-21(22)28(25(29)26)16-15-27-13-5-2-6-14-27/h3-4,7-12,26H,2,5-6,13-18H2,1H3/p+1