1,4-diazepan-4-ium-1-yl-(4-methylphenyl)methanone

Systemtic Name: 1,4-diazepan-4-ium-1-yl-(4-methylphenyl)methanone Openeye Name: 1,4-diazepan-4-ium-1-yl(p-tolyl)methanone CAS Name: 1,4-diazepan-4-ium-1-yl-(4-methylphenyl)methanone IUPAC Name: 1,4-diazepan-4-ium-1-yl-(4-methylphenyl)methanone Traditional Name: 1,4-diazepan-4-ium-1-yl(p-tolyl)methanone Formula: C13H19N2O+ MolecularWeight: 219.30276

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18N2O/c1-11-3-5-12(6-4-11)13(16)15-9-2-7-14-8-10-15/h3-6,14H,2,7-10H2,1H3/p+1