3-(2-methylpropylsulfanyl)-1-(3,4,5-trimethoxyphenyl)-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile

Systemtic Name: 3-(2-methylpropylsulfanyl)-1-(3,4,5-trimethoxyphenyl)-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile Openeye Name: 3-isobutylsulfanyl-1-(3,4,5-trimethoxyphenyl)-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile CAS Name: 3-(2-methylpropylthio)-1-(3,4,5-trimethoxyphenyl)-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile IUPAC Name: 3-(2-methylpropylsulfanyl)-1-(3,4,5-trimethoxyphenyl)-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile Traditional Name: 3-(isobutylthio)-1-(3,4,5-trimethoxyphenyl)-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile Formula: C23H29N2O3S+ MolecularWeight: 413.55296

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CSC1=[NH+]C(=C2CCCCC2=C1C#N)C3=CC(=C(C(=C3)OC)OC)OC

Isomeric SMILES

CC(C)CSC1=[NH+]C(=C2CCCCC2=C1C#N)C3=CC(=C(C(=C3)OC)OC)OC

InChI

InChI=1S/C23H28N2O3S/c1-14(2)13-29-23-18(12-24)16-8-6-7-9-17(16)21(25-23)15-10-19(26-3)22(28-5)20(11-15)27-4/h10-11,14H,6-9,13H2,1-5H3/p+1