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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C[N+]1=C(N(C2=CC=CC=C21)CCN3CCCCC3)N

Isomeric SMILES

COC(=O)C[N+]1=C(N(C2=CC=CC=C21)CCN3CCCCC3)N

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