(3,4-dimethoxyphenyl)methyl-[(3S)-thiolan-3-yl]azanium

Systemtic Name: (3,4-dimethoxyphenyl)methyl-[(3S)-thiolan-3-yl]azanium Openeye Name: (3,4-dimethoxyphenyl)methyl-[(3S)-tetrahydrothiophen-3-yl]ammonium CAS Name: (3,4-dimethoxyphenyl)methyl-[(3S)-3-thiolanyl]ammonium IUPAC Name: (3,4-dimethoxyphenyl)methyl-[(3S)-thiolan-3-yl]azanium Traditional Name: [(3S)-tetrahydrothiophen-3-yl]-veratryl-ammonium Formula: C13H20NO2S+ MolecularWeight: 254.3684

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C[NH2+]C2CCSC2)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C[NH2+][C@H]2CCSC2)OC

InChI

InChI=1S/C13H19NO2S/c1-15-12-4-3-10(7-13(12)16-2)8-14-11-5-6-17-9-11/h3-4,7,11,14H,5-6,8-9H2,1-2H3/p+1/t11-/m0/s1