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

Systemtic Name: 2-[2-azanylidene-3-(2-piperidin-1-ium-1-ylethyl)benzimidazol-1-yl]-1-(4-chlorophenyl)ethanone Openeye Name: 1-(4-chlorophenyl)-2-[2-imino-3-(2-piperidin-1-ium-1-ylethyl)benzimidazol-1-yl]ethanone CAS Name: 1-(4-chlorophenyl)-2-[2-imino-3-[2-(1-piperidin-1-iumyl)ethyl]-1-benzimidazolyl]ethanone IUPAC Name: 1-(4-chlorophenyl)-2-[2-imino-3-(2-piperidin-1-ium-1-ylethyl)benzimidazol-1-yl]ethanone Traditional Name: 1-(4-chlorophenyl)-2-[2-imino-3-(2-piperidin-1-ium-1-ylethyl)benzimidazol-1-yl]ethanone Formula: C22H26ClN4O+ MolecularWeight: 397.92104

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CCN2C3=CC=CC=C3N(C2=N)CC(=O)C4=CC=C(C=C4)Cl

Isomeric SMILES

C1CC[NH+](CC1)CCN2C3=CC=CC=C3N(C2=N)CC(=O)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C22H25ClN4O/c23-18-10-8-17(9-11-18)21(28)16-27-20-7-3-2-6-19(20)26(22(27)24)15-14-25-12-4-1-5-13-25/h2-3,6-11,24H,1,4-5,12-16H2/p+1