[(2S)-1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl]-(4-methylphenyl)azanium

Systemtic Name: [(2S)-1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl]-(4-methylphenyl)azanium Openeye Name: [(1S)-2-(azepan-1-yl)-1-methyl-2-oxo-ethyl]-(p-tolyl)ammonium CAS Name: [(2S)-1-(1-azepanyl)-1-oxopropan-2-yl]-(4-methylphenyl)ammonium IUPAC Name: [(2S)-1-(azepan-1-yl)-1-oxopropan-2-yl]-(4-methylphenyl)azanium Traditional Name: [(1S)-2-(azepan-1-yl)-2-keto-1-methyl-ethyl]-(p-tolyl)ammonium Formula: C16H25N2O+ MolecularWeight: 261.3825

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H24N2O/c1-13-7-9-15(10-8-13)17-14(2)16(19)18-11-5-3-4-6-12-18/h7-10,14,17H,3-6,11-12H2,1-2H3/p+1/t14-/m0/s1