4-cyano-1-(3,4,5-trimethoxyphenyl)-5,6,7,8-tetrahydroisoquinoline-3-thiolate; morpholin-4-ium

Systemtic Name: 4-cyano-1-(3,4,5-trimethoxyphenyl)-5,6,7,8-tetrahydroisoquinoline-3-thiolate; morpholin-4-ium Openeye Name: 4-cyano-1-(3,4,5-trimethoxyphenyl)-5,6,7,8-tetrahydroisoquinoline-3-thiolate; morpholin-4-ium CAS Name: 4-cyano-1-(3,4,5-trimethoxyphenyl)-5,6,7,8-tetrahydroisoquinoline-3-thiolate; morpholin-4-ium IUPAC Name: 4-cyano-1-(3,4,5-trimethoxyphenyl)-5,6,7,8-tetrahydroisoquinoline-3-thiolate; morpholin-4-ium Traditional Name: 4-cyano-1-(3,4,5-trimethoxyphenyl)-5,6,7,8-tetrahydroisoquinoline-3-thiolate; morpholin-4-ium Formula: C23H29N3O4S MolecularWeight: 443.55906

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C2=C3CCCCC3=C(C(=N2)[S-])C#N.C1COCC[NH2+]1

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C2=C3CCCCC3=C(C(=N2)[S-])C#N.C1COCC[NH2+]1

InChI

InChI=1S/C19H20N2O3S.C4H9NO/c1-22-15-8-11(9-16(23-2)18(15)24-3)17-13-7-5-4-6-12(13)14(10-20)19(25)21-17;1-3-6-4-2-5-1/h8-9H,4-7H2,1-3H3,(H,21,25);5H,1-4H2