[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-(3,4-dimethylphenyl)azanium

Systemtic Name: [2-(azepan-1-yl)-2-oxidanylidene-ethyl]-(3,4-dimethylphenyl)azanium Openeye Name: [2-(azepan-1-yl)-2-oxo-ethyl]-(3,4-dimethylphenyl)ammonium CAS Name: [2-(1-azepanyl)-2-oxoethyl]-(3,4-dimethylphenyl)ammonium IUPAC Name: [2-(azepan-1-yl)-2-oxoethyl]-(3,4-dimethylphenyl)azanium Traditional Name: [2-(azepan-1-yl)-2-keto-ethyl]-(3,4-dimethylphenyl)ammonium Formula: C16H25N2O+ MolecularWeight: 261.3825

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[NH2+]CC(=O)N2CCCCCC2)C

Isomeric SMILES

CC1=C(C=C(C=C1)[NH2+]CC(=O)N2CCCCCC2)C

InChI

InChI=1S/C16H24N2O/c1-13-7-8-15(11-14(13)2)17-12-16(19)18-9-5-3-4-6-10-18/h7-8,11,17H,3-6,9-10,12H2,1-2H3/p+1