(4-methylphenyl)methyl-[(3S)-2-oxidanylideneazepan-3-yl]azanium

Systemtic Name: (4-methylphenyl)methyl-[(3S)-2-oxidanylideneazepan-3-yl]azanium Openeye Name: [(3S)-2-oxoazepan-3-yl]-(p-tolylmethyl)ammonium CAS Name: (4-methylphenyl)methyl-[(3S)-2-oxo-3-azepanyl]ammonium IUPAC Name: (4-methylphenyl)methyl-[(3S)-2-oxoazepan-3-yl]azanium Traditional Name: [(3S)-2-ketoazepan-3-yl]-(4-methylbenzyl)ammonium Formula: C14H21N2O+ MolecularWeight: 233.32934

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C[NH2+]C2CCCCNC2=O

Isomeric SMILES

CC1=CC=C(C=C1)C[NH2+][C@H]2CCCCNC2=O

InChI

InChI=1S/C14H20N2O/c1-11-5-7-12(8-6-11)10-16-13-4-2-3-9-15-14(13)17/h5-8,13,16H,2-4,9-10H2,1H3,(H,15,17)/p+1/t13-/m0/s1