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

Systemtic Name: methyl 2-[2-azanylidene-3-(2-piperidin-1-ium-1-ylethyl)benzimidazol-1-yl]ethanoate Openeye Name: methyl 2-[2-imino-3-(2-piperidin-1-ium-1-ylethyl)benzimidazol-1-yl]acetate CAS Name: 2-[2-imino-3-[2-(1-piperidin-1-iumyl)ethyl]-1-benzimidazolyl]acetic acid methyl ester IUPAC Name: methyl 2-[2-imino-3-(2-piperidin-1-ium-1-ylethyl)benzimidazol-1-yl]acetate Traditional Name: 2-[2-imino-3-(2-piperidin-1-ium-1-ylethyl)benzimidazol-1-yl]acetic acid methyl ester Formula: C17H25N4O2+ MolecularWeight: 317.406

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CN1C2=CC=CC=C2N(C1=N)CC[NH+]3CCCCC3

Isomeric SMILES

COC(=O)CN1C2=CC=CC=C2N(C1=N)CC[NH+]3CCCCC3

InChI

InChI=1S/C17H24N4O2/c1-23-16(22)13-21-15-8-4-3-7-14(15)20(17(21)18)12-11-19-9-5-2-6-10-19/h3-4,7-8,18H,2,5-6,9-13H2,1H3/p+1