2-[2-(azepan-1-ium-1-ylmethyl)benzimidazol-1-yl]-1-piperidin-1-yl-ethanone

Systemtic Name: 2-[2-(azepan-1-ium-1-ylmethyl)benzimidazol-1-yl]-1-piperidin-1-yl-ethanone Openeye Name: 2-[2-(azepan-1-ium-1-ylmethyl)benzimidazol-1-yl]-1-(1-piperidyl)ethanone CAS Name: 2-[2-(1-azepan-1-iumylmethyl)-1-benzimidazolyl]-1-(1-piperidinyl)ethanone IUPAC Name: 2-[2-(azepan-1-ium-1-ylmethyl)benzimidazol-1-yl]-1-piperidin-1-ylethanone Traditional Name: 2-[2-(azepan-1-ium-1-ylmethyl)benzimidazol-1-yl]-1-piperidino-ethanone Formula: C21H31N4O+ MolecularWeight: 355.49704

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)CC2=NC3=CC=CC=C3N2CC(=O)N4CCCCC4

Isomeric SMILES

C1CCC[NH+](CC1)CC2=NC3=CC=CC=C3N2CC(=O)N4CCCCC4

InChI

InChI=1S/C21H30N4O/c26-21(24-14-8-3-9-15-24)17-25-19-11-5-4-10-18(19)22-20(25)16-23-12-6-1-2-7-13-23/h4-5,10-11H,1-3,6-9,12-17H2/p+1