2-(3,4-dimethoxyphenyl)ethyl-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)azanium

Systemtic Name: 2-(3,4-dimethoxyphenyl)ethyl-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)azanium Openeye Name: 2-(3,4-dimethoxyphenyl)ethyl-(5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-yl)ammonium CAS Name: 2-(3,4-dimethoxyphenyl)ethyl-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)ammonium IUPAC Name: 2-(3,4-dimethoxyphenyl)ethyl-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)azanium Traditional Name: homoveratryl(5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-yl)ammonium Formula: C20H24N3O2S+ MolecularWeight: 370.48846

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CC[NH2+]C2=C3C4=C(CCCC4)SC3=NC=N2)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CC[NH2+]C2=C3C4=C(CCCC4)SC3=NC=N2)OC

InChI

InChI=1S/C20H23N3O2S/c1-24-15-8-7-13(11-16(15)25-2)9-10-21-19-18-14-5-3-4-6-17(14)26-20(18)23-12-22-19/h7-8,11-12H,3-6,9-10H2,1-2H3,(H,21,22,23)/p+1