2-(3,4-dimethoxyphenyl)ethyl-[(3S)-2-oxidanylideneazepan-3-yl]azanium

Systemtic Name: 2-(3,4-dimethoxyphenyl)ethyl-[(3S)-2-oxidanylideneazepan-3-yl]azanium Openeye Name: 2-(3,4-dimethoxyphenyl)ethyl-[(3S)-2-oxoazepan-3-yl]ammonium CAS Name: 2-(3,4-dimethoxyphenyl)ethyl-[(3S)-2-oxo-3-azepanyl]ammonium IUPAC Name: 2-(3,4-dimethoxyphenyl)ethyl-[(3S)-2-oxoazepan-3-yl]azanium Traditional Name: homoveratryl-[(3S)-2-ketoazepan-3-yl]ammonium Formula: C16H25N2O3+ MolecularWeight: 293.3813

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CC[NH2+]C2CCCCNC2=O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CC[NH2+][C@H]2CCCCNC2=O)OC

InChI

InChI=1S/C16H24N2O3/c1-20-14-7-6-12(11-15(14)21-2)8-10-17-13-5-3-4-9-18-16(13)19/h6-7,11,13,17H,3-5,8-10H2,1-2H3,(H,18,19)/p+1/t13-/m0/s1