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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)CN2C3=CC=CC=C3N=C2C[NH+]4CCOCC4

Isomeric SMILES

C1CCCN(CC1)C(=O)CN2C3=CC=CC=C3N=C2C[NH+]4CCOCC4

InChI

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