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

Systemtic Name: (4-methyl-1,4-diazepan-4-ium-1-yl)-(4-methylphenyl)methanone Openeye Name: (4-methyl-1,4-diazepan-4-ium-1-yl)-(p-tolyl)methanone CAS Name: (4-methyl-1,4-diazepan-4-ium-1-yl)-(4-methylphenyl)methanone IUPAC Name: (4-methyl-1,4-diazepan-4-ium-1-yl)-(4-methylphenyl)methanone Traditional Name: (4-methyl-1,4-diazepan-4-ium-1-yl)-(p-tolyl)methanone Formula: C14H21N2O+ MolecularWeight: 233.32934

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20N2O/c1-12-4-6-13(7-5-12)14(17)16-9-3-8-15(2)10-11-16/h4-7H,3,8-11H2,1-2H3/p+1