[(2R)-1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl]-(2-methoxy-5-methyl-phenyl)azanium

Systemtic Name: [(2R)-1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl]-(2-methoxy-5-methyl-phenyl)azanium Openeye Name: [(1R)-2-(azepan-1-yl)-1-methyl-2-oxo-ethyl]-(2-methoxy-5-methyl-phenyl)ammonium CAS Name: [(2R)-1-(1-azepanyl)-1-oxopropan-2-yl]-(2-methoxy-5-methylphenyl)ammonium IUPAC Name: [(2R)-1-(azepan-1-yl)-1-oxopropan-2-yl]-(2-methoxy-5-methylphenyl)azanium Traditional Name: [(1R)-2-(azepan-1-yl)-2-keto-1-methyl-ethyl]-(2-methoxy-5-methyl-phenyl)ammonium Formula: C17H27N2O2+ MolecularWeight: 291.40848

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H26N2O2/c1-13-8-9-16(21-3)15(12-13)18-14(2)17(20)19-10-6-4-5-7-11-19/h8-9,12,14,18H,4-7,10-11H2,1-3H3/p+1/t14-/m1/s1