2-[2-azanyl-3-(2-piperidin-1-ylethyl)benzimidazol-1-ium-1-yl]-1-(4-methoxyphenyl)ethanone

Systemtic Name: 2-[2-azanyl-3-(2-piperidin-1-ylethyl)benzimidazol-1-ium-1-yl]-1-(4-methoxyphenyl)ethanone Openeye Name: 2-[2-amino-3-[2-(1-piperidyl)ethyl]benzimidazol-1-ium-1-yl]-1-(4-methoxyphenyl)ethanone CAS Name: 2-[2-amino-3-[2-(1-piperidinyl)ethyl]-1-benzimidazol-1-iumyl]-1-(4-methoxyphenyl)ethanone IUPAC Name: 2-[2-amino-3-(2-piperidin-1-ylethyl)benzimidazol-1-ium-1-yl]-1-(4-methoxyphenyl)ethanone Traditional Name: 2-[2-amino-3-(2-piperidinoethyl)benzimidazol-1-ium-1-yl]-1-(4-methoxyphenyl)ethanone Formula: C23H29N4O2+ MolecularWeight: 393.50196

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)C[N+]2=C(N(C3=CC=CC=C32)CCN4CCCCC4)N

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)C[N+]2=C(N(C3=CC=CC=C32)CCN4CCCCC4)N

InChI

InChI=1S/C23H28N4O2/c1-29-19-11-9-18(10-12-19)22(28)17-27-21-8-4-3-7-20(21)26(23(27)24)16-15-25-13-5-2-6-14-25/h3-4,7-12,24H,2,5-6,13-17H2,1H3/p+1