[(2R)-1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl]-(3-ethylphenyl)azanium

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC=C1)[NH2+]C(C)C(=O)N2CCCCCC2

Isomeric SMILES

CCC1=CC(=CC=C1)[NH2+][C@H](C)C(=O)N2CCCCCC2

InChI

InChI=1S/C17H26N2O/c1-3-15-9-8-10-16(13-15)18-14(2)17(20)19-11-6-4-5-7-12-19/h8-10,13-14,18H,3-7,11-12H2,1-2H3/p+1/t14-/m1/s1