1-[(3S)-3-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)piperidin-1-yl]-3-methylsulfanyl-propan-1-one

Systemtic Name: 1-[(3S)-3-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)piperidin-1-yl]-3-methylsulfanyl-propan-1-one Openeye Name: 1-[(3S)-3-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)-1-piperidyl]-3-methylsulfanyl-propan-1-one CAS Name: 1-[(3S)-3-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)-1-piperidinyl]-3-(methylthio)-1-propanone IUPAC Name: 1-[(3S)-3-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)piperidin-1-yl]-3-methylsulfanylpropan-1-one Traditional Name: 1-[(3S)-3-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)piperidino]-3-(methylthio)propan-1-one Formula: C20H31N2O3S+ MolecularWeight: 379.53674

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C[NH+](CCC2=C1)C3CCCN(C3)C(=O)CCSC)OC

Isomeric SMILES

COC1=C(C=C2C[NH+](CCC2=C1)[C@H]3CCCN(C3)C(=O)CCSC)OC

InChI

InChI=1S/C20H30N2O3S/c1-24-18-11-15-6-9-21(13-16(15)12-19(18)25-2)17-5-4-8-22(14-17)20(23)7-10-26-3/h11-12,17H,4-10,13-14H2,1-3H3/p+1/t17-/m0/s1