2-[2-(azepan-1-ium-1-ylmethyl)benzimidazol-1-yl]-1-morpholin-4-yl-ethanone

Systemtic Name: 2-[2-(azepan-1-ium-1-ylmethyl)benzimidazol-1-yl]-1-morpholin-4-yl-ethanone Openeye Name: 2-[2-(azepan-1-ium-1-ylmethyl)benzimidazol-1-yl]-1-morpholino-ethanone CAS Name: 2-[2-(1-azepan-1-iumylmethyl)-1-benzimidazolyl]-1-(4-morpholinyl)ethanone IUPAC Name: 2-[2-(azepan-1-ium-1-ylmethyl)benzimidazol-1-yl]-1-morpholin-4-ylethanone Traditional Name: 2-[2-(azepan-1-ium-1-ylmethyl)benzimidazol-1-yl]-1-morpholino-ethanone Formula: C20H29N4O2+ MolecularWeight: 357.46986

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)CC2=NC3=CC=CC=C3N2CC(=O)N4CCOCC4

Isomeric SMILES

C1CCC[NH+](CC1)CC2=NC3=CC=CC=C3N2CC(=O)N4CCOCC4

InChI

InChI=1S/C20H28N4O2/c25-20(23-11-13-26-14-12-23)16-24-18-8-4-3-7-17(18)21-19(24)15-22-9-5-1-2-6-10-22/h3-4,7-8H,1-2,5-6,9-16H2/p+1