(2-azanyl-6-methyl-phenyl)-(4-methyl-1,4-diazepan-4-ium-1-yl)methanone

Systemtic Name: (2-azanyl-6-methyl-phenyl)-(4-methyl-1,4-diazepan-4-ium-1-yl)methanone Openeye Name: (2-amino-6-methyl-phenyl)-(4-methyl-1,4-diazepan-4-ium-1-yl)methanone CAS Name: (2-amino-6-methylphenyl)-(4-methyl-1,4-diazepan-4-ium-1-yl)methanone IUPAC Name: (2-amino-6-methylphenyl)-(4-methyl-1,4-diazepan-4-ium-1-yl)methanone Traditional Name: (2-amino-6-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)N)C(=O)N2CCC[NH+](CC2)C

Isomeric SMILES

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

InChI

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