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

Systemtic Name: 2-[2-azanyl-3-(2-piperidin-1-ium-1-ylethyl)benzimidazol-1-ium-1-yl]-1-(3,4-dimethoxyphenyl)ethanone Openeye Name: 2-[2-amino-3-(2-piperidin-1-ium-1-ylethyl)benzimidazol-1-ium-1-yl]-1-(3,4-dimethoxyphenyl)ethanone CAS Name: 2-[2-amino-3-[2-(1-piperidin-1-iumyl)ethyl]-1-benzimidazol-1-iumyl]-1-(3,4-dimethoxyphenyl)ethanone IUPAC Name: 2-[2-amino-3-(2-piperidin-1-ium-1-ylethyl)benzimidazol-1-ium-1-yl]-1-(3,4-dimethoxyphenyl)ethanone Traditional Name: 2-[2-amino-3-(2-piperidin-1-ium-1-ylethyl)benzimidazol-1-ium-1-yl]-1-(3,4-dimethoxyphenyl)ethanone Formula: C24H32N4O3+2 MolecularWeight: 424.53588

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)C[N+]2=C(N(C3=CC=CC=C32)CC[NH+]4CCCCC4)N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)C[N+]2=C(N(C3=CC=CC=C32)CC[NH+]4CCCCC4)N)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+2