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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H21N3O/c1-12-3-5-13(6-4-12)16-14(18)11-17-9-2-7-15-8-10-17/h3-6,15H,2,7-11H2,1H3,(H,16,18)/p+1