[(4S)-3,4-dihydro-2H-thiochromen-4-yl]-[(3,4-dimethoxyphenyl)methyl]azanium

Systemtic Name: [(4S)-3,4-dihydro-2H-thiochromen-4-yl]-[(3,4-dimethoxyphenyl)methyl]azanium Openeye Name: (3,4-dimethoxyphenyl)methyl-[(4S)-thiochroman-4-yl]ammonium CAS Name: [(4S)-3,4-dihydro-2H-1-benzothiopyran-4-yl]-[(3,4-dimethoxyphenyl)methyl]ammonium IUPAC Name: [(4S)-3,4-dihydro-2H-thiochromen-4-yl]-[(3,4-dimethoxyphenyl)methyl]azanium Traditional Name: [(4S)-thiochroman-4-yl]-veratryl-ammonium Formula: C18H22NO2S+ MolecularWeight: 316.43778

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C[NH2+]C2CCSC3=CC=CC=C23)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C[NH2+][C@H]2CCSC3=CC=CC=C23)OC

InChI

InChI=1S/C18H21NO2S/c1-20-16-8-7-13(11-17(16)21-2)12-19-15-9-10-22-18-6-4-3-5-14(15)18/h3-8,11,15,19H,9-10,12H2,1-2H3/p+1/t15-/m0/s1