[(3S)-2-oxidanylideneazepan-3-yl]-[(2R)-4-phenylbutan-2-yl]azanium

Systemtic Name: [(3S)-2-oxidanylideneazepan-3-yl]-[(2R)-4-phenylbutan-2-yl]azanium Openeye Name: [(1R)-1-methyl-3-phenyl-propyl]-[(3S)-2-oxoazepan-3-yl]ammonium CAS Name: [(3S)-2-oxo-3-azepanyl]-[(2R)-4-phenylbutan-2-yl]ammonium IUPAC Name: [(3S)-2-oxoazepan-3-yl]-[(2R)-4-phenylbutan-2-yl]azanium Traditional Name: [(3S)-2-ketoazepan-3-yl]-[(1R)-1-methyl-3-phenyl-propyl]ammonium Formula: C16H25N2O+ MolecularWeight: 261.3825

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC=CC=C1)[NH2+]C2CCCCNC2=O

Isomeric SMILES

C[C@H](CCC1=CC=CC=C1)[NH2+][C@H]2CCCCNC2=O

InChI

InChI=1S/C16H24N2O/c1-13(10-11-14-7-3-2-4-8-14)18-15-9-5-6-12-17-16(15)19/h2-4,7-8,13,15,18H,5-6,9-12H2,1H3,(H,17,19)/p+1/t13-,15+/m1/s1