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

Systemtic Name: 2-[2-azanyl-3-(2-piperidin-1-ium-1-ylethyl)benzimidazol-1-ium-1-yl]-1-(4-ethoxyphenyl)ethanone Openeye Name: 2-[2-amino-3-(2-piperidin-1-ium-1-ylethyl)benzimidazol-1-ium-1-yl]-1-(4-ethoxyphenyl)ethanone CAS Name: 2-[2-amino-3-[2-(1-piperidin-1-iumyl)ethyl]-1-benzimidazol-1-iumyl]-1-(4-ethoxyphenyl)ethanone IUPAC Name: 2-[2-amino-3-(2-piperidin-1-ium-1-ylethyl)benzimidazol-1-ium-1-yl]-1-(4-ethoxyphenyl)ethanone Traditional Name: 2-[2-amino-3-(2-piperidin-1-ium-1-ylethyl)benzimidazol-1-ium-1-yl]-1-p-phenetyl-ethanone Formula: C24H32N4O2+2 MolecularWeight: 408.53648

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)C[N+]2=C(N(C3=CC=CC=C32)CC[NH+]4CCCCC4)N

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)C[N+]2=C(N(C3=CC=CC=C32)CC[NH+]4CCCCC4)N

InChI

InChI=1S/C24H30N4O2/c1-2-30-20-12-10-19(11-13-20)23(29)18-28-22-9-5-4-8-21(22)27(24(28)25)17-16-26-14-6-3-7-15-26/h4-5,8-13,25H,2-3,6-7,14-18H2,1H3/p+2