[(2S)-1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl]-(3,5-dimethylphenyl)azanium

Systemtic Name: [(2S)-1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl]-(3,5-dimethylphenyl)azanium Openeye Name: [(1S)-2-(azepan-1-yl)-1-methyl-2-oxo-ethyl]-(3,5-dimethylphenyl)ammonium CAS Name: [(2S)-1-(1-azepanyl)-1-oxopropan-2-yl]-(3,5-dimethylphenyl)ammonium IUPAC Name: [(2S)-1-(azepan-1-yl)-1-oxopropan-2-yl]-(3,5-dimethylphenyl)azanium Traditional Name: [(1S)-2-(azepan-1-yl)-2-keto-1-methyl-ethyl]-(3,5-dimethylphenyl)ammonium Formula: C17H27N2O+ MolecularWeight: 275.40908

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H26N2O/c1-13-10-14(2)12-16(11-13)18-15(3)17(20)19-8-6-4-5-7-9-19/h10-12,15,18H,4-9H2,1-3H3/p+1/t15-/m0/s1