1-[(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)methyl]-4,5,6-trimethyl-2-sulfanylidene-pyridine-3-carbonitrile

Systemtic Name: 1-[(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)methyl]-4,5,6-trimethyl-2-sulfanylidene-pyridine-3-carbonitrile Openeye Name: 1-[(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)methyl]-4,5,6-trimethyl-2-thioxo-pyridine-3-carbonitrile CAS Name: 1-[(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)methyl]-4,5,6-trimethyl-2-sulfanylidene-3-pyridinecarbonitrile IUPAC Name: 1-[(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)methyl]-4,5,6-trimethyl-2-sulfanylidenepyridine-3-carbonitrile Traditional Name: 1-[(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)methyl]-4,5,6-trimethyl-2-thioxo-nicotinonitrile Formula: C21H26N3O2S+ MolecularWeight: 384.51504

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=S)C(=C1C)C#N)C[NH+]2CCC3=CC(=C(C=C3C2)OC)OC)C

Isomeric SMILES

CC1=C(N(C(=S)C(=C1C)C#N)C[NH+]2CCC3=CC(=C(C=C3C2)OC)OC)C

InChI

InChI=1S/C21H25N3O2S/c1-13-14(2)18(10-22)21(27)24(15(13)3)12-23-7-6-16-8-19(25-4)20(26-5)9-17(16)11-23/h8-9H,6-7,11-12H2,1-5H3/p+1