3-(benzimidazol-1-yl)-1-(4-methyl-1,4-diazepan-4-ium-1-yl)propan-1-one

Systemtic Name: 3-(benzimidazol-1-yl)-1-(4-methyl-1,4-diazepan-4-ium-1-yl)propan-1-one Openeye Name: 3-(benzimidazol-1-yl)-1-(4-methyl-1,4-diazepan-4-ium-1-yl)propan-1-one CAS Name: 3-(1-benzimidazolyl)-1-(4-methyl-1,4-diazepan-4-ium-1-yl)-1-propanone IUPAC Name: 3-(benzimidazol-1-yl)-1-(4-methyl-1,4-diazepan-4-ium-1-yl)propan-1-one Traditional Name: 3-(benzimidazol-1-yl)-1-(4-methyl-1,4-diazepan-4-ium-1-yl)propan-1-one Formula: C16H23N4O+ MolecularWeight: 287.38002

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCCN(CC1)C(=O)CCN2C=NC3=CC=CC=C32

Isomeric SMILES

C[NH+]1CCCN(CC1)C(=O)CCN2C=NC3=CC=CC=C32

InChI

InChI=1S/C16H22N4O/c1-18-8-4-9-19(12-11-18)16(21)7-10-20-13-17-14-5-2-3-6-15(14)20/h2-3,5-6,13H,4,7-12H2,1H3/p+1