(4-azanyl-3-methyl-phenyl)-(4-methyl-1,4-diazepan-4-ium-1-yl)methanone

Systemtic Name: (4-azanyl-3-methyl-phenyl)-(4-methyl-1,4-diazepan-4-ium-1-yl)methanone Openeye Name: (4-amino-3-methyl-phenyl)-(4-methyl-1,4-diazepan-4-ium-1-yl)methanone CAS Name: (4-amino-3-methylphenyl)-(4-methyl-1,4-diazepan-4-ium-1-yl)methanone IUPAC Name: (4-amino-3-methylphenyl)-(4-methyl-1,4-diazepan-4-ium-1-yl)methanone Traditional Name: (4-amino-3-methyl-phenyl)-(4-methyl-1,4-diazepan-4-ium-1-yl)methanone Formula: C14H22N3O+ MolecularWeight: 248.34398

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H21N3O/c1-11-10-12(4-5-13(11)15)14(18)17-7-3-6-16(2)8-9-17/h4-5,10H,3,6-9,15H2,1-2H3/p+1