[(2S)-4-(4-methoxyphenyl)butan-2-yl]-[(3S)-2-oxidanylideneazepan-3-yl]azanium

Systemtic Name: [(2S)-4-(4-methoxyphenyl)butan-2-yl]-[(3S)-2-oxidanylideneazepan-3-yl]azanium Openeye Name: [(1S)-3-(4-methoxyphenyl)-1-methyl-propyl]-[(3S)-2-oxoazepan-3-yl]ammonium CAS Name: [(2S)-4-(4-methoxyphenyl)butan-2-yl]-[(3S)-2-oxo-3-azepanyl]ammonium IUPAC Name: [(2S)-4-(4-methoxyphenyl)butan-2-yl]-[(3S)-2-oxoazepan-3-yl]azanium Traditional Name: [(3S)-2-ketoazepan-3-yl]-[(1S)-3-(4-methoxyphenyl)-1-methyl-propyl]ammonium Formula: C17H27N2O2+ MolecularWeight: 291.40848

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H26N2O2/c1-13(19-16-5-3-4-12-18-17(16)20)6-7-14-8-10-15(21-2)11-9-14/h8-11,13,16,19H,3-7,12H2,1-2H3,(H,18,20)/p+1/t13-,16-/m0/s1