N-(3-methylphenyl)-1,4-diazepan-4-ium-1-carboxamide

Systemtic Name: N-(3-methylphenyl)-1,4-diazepan-4-ium-1-carboxamide Openeye Name: N-(m-tolyl)-1,4-diazepan-4-ium-1-carboxamide CAS Name: N-(3-methylphenyl)-1,4-diazepan-4-ium-1-carboxamide IUPAC Name: N-(3-methylphenyl)-1,4-diazepan-4-ium-1-carboxamide Traditional Name: N-(m-tolyl)-1,4-diazepan-4-ium-1-carboxamide Formula: C13H20N3O+ MolecularWeight: 234.3174

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)N2CCC[NH2+]CC2

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)N2CCC[NH2+]CC2

InChI

InChI=1S/C13H19N3O/c1-11-4-2-5-12(10-11)15-13(17)16-8-3-6-14-7-9-16/h2,4-5,10,14H,3,6-9H2,1H3,(H,15,17)/p+1