2-[2-azanylidene-3-(2-piperidin-1-ium-1-ylethyl)benzimidazol-1-yl]-1-(3,4-dimethoxyphenyl)ethanone

Systemtic Name: 2-[2-azanylidene-3-(2-piperidin-1-ium-1-ylethyl)benzimidazol-1-yl]-1-(3,4-dimethoxyphenyl)ethanone Openeye Name: 1-(3,4-dimethoxyphenyl)-2-[2-imino-3-(2-piperidin-1-ium-1-ylethyl)benzimidazol-1-yl]ethanone CAS Name: 1-(3,4-dimethoxyphenyl)-2-[2-imino-3-[2-(1-piperidin-1-iumyl)ethyl]-1-benzimidazolyl]ethanone IUPAC Name: 1-(3,4-dimethoxyphenyl)-2-[2-imino-3-(2-piperidin-1-ium-1-ylethyl)benzimidazol-1-yl]ethanone Traditional Name: 1-(3,4-dimethoxyphenyl)-2-[2-imino-3-(2-piperidin-1-ium-1-ylethyl)benzimidazol-1-yl]ethanone Formula: C24H31N4O3+ MolecularWeight: 423.52794

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H30N4O3/c1-30-22-11-10-18(16-23(22)31-2)21(29)17-28-20-9-5-4-8-19(20)27(24(28)25)15-14-26-12-6-3-7-13-26/h4-5,8-11,16,25H,3,6-7,12-15,17H2,1-2H3/p+1