[(2R)-1-(3,4-dimethoxyphenyl)propan-2-yl]-[(3S)-2-oxidanylideneazepan-3-yl]azanium

Systemtic Name: [(2R)-1-(3,4-dimethoxyphenyl)propan-2-yl]-[(3S)-2-oxidanylideneazepan-3-yl]azanium Openeye Name: [(1R)-2-(3,4-dimethoxyphenyl)-1-methyl-ethyl]-[(3S)-2-oxoazepan-3-yl]ammonium CAS Name: [(2R)-1-(3,4-dimethoxyphenyl)propan-2-yl]-[(3S)-2-oxo-3-azepanyl]ammonium IUPAC Name: [(2R)-1-(3,4-dimethoxyphenyl)propan-2-yl]-[(3S)-2-oxoazepan-3-yl]azanium Traditional Name: [(1R)-2-(3,4-dimethoxyphenyl)-1-methyl-ethyl]-[(3S)-2-ketoazepan-3-yl]ammonium Formula: C17H27N2O3+ MolecularWeight: 307.40788

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC(=C(C=C1)OC)OC)[NH2+]C2CCCCNC2=O

Isomeric SMILES

C[C@H](CC1=CC(=C(C=C1)OC)OC)[NH2+][C@H]2CCCCNC2=O

InChI

InChI=1S/C17H26N2O3/c1-12(19-14-6-4-5-9-18-17(14)20)10-13-7-8-15(21-2)16(11-13)22-3/h7-8,11-12,14,19H,4-6,9-10H2,1-3H3,(H,18,20)/p+1/t12-,14+/m1/s1