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

Systemtic Name: [(2S)-1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl]-[(4-methylphenyl)methyl]azanium Openeye Name: [(1S)-2-(azepan-1-yl)-1-methyl-2-oxo-ethyl]-(p-tolylmethyl)ammonium CAS Name: [(2S)-1-(1-azepanyl)-1-oxopropan-2-yl]-[(4-methylphenyl)methyl]ammonium IUPAC Name: [(2S)-1-(azepan-1-yl)-1-oxopropan-2-yl]-[(4-methylphenyl)methyl]azanium Traditional Name: [(1S)-2-(azepan-1-yl)-2-keto-1-methyl-ethyl]-(4-methylbenzyl)ammonium Formula: C17H27N2O+ MolecularWeight: 275.40908

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H26N2O/c1-14-7-9-16(10-8-14)13-18-15(2)17(20)19-11-5-3-4-6-12-19/h7-10,15,18H,3-6,11-13H2,1-2H3/p+1/t15-/m0/s1