2-(1,4-diazepan-4-ium-1-yl)-N-(3-methylphenyl)ethanamide

Systemtic Name: 2-(1,4-diazepan-4-ium-1-yl)-N-(3-methylphenyl)ethanamide Openeye Name: 2-(1,4-diazepan-4-ium-1-yl)-N-(m-tolyl)acetamide CAS Name: 2-(1,4-diazepan-4-ium-1-yl)-N-(3-methylphenyl)acetamide IUPAC Name: 2-(1,4-diazepan-4-ium-1-yl)-N-(3-methylphenyl)acetamide Traditional Name: 2-(1,4-diazepan-4-ium-1-yl)-N-(m-tolyl)acetamide Formula: C14H22N3O+ MolecularWeight: 248.34398

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)CN2CCC[NH2+]CC2

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)CN2CCC[NH2+]CC2

InChI

InChI=1S/C14H21N3O/c1-12-4-2-5-13(10-12)16-14(18)11-17-8-3-6-15-7-9-17/h2,4-5,10,15H,3,6-9,11H2,1H3,(H,16,18)/p+1