1-cyclopropyl-3-[[(1S)-6,7-dimethoxy-2-prop-2-enyl-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]methyl]thiourea

Systemtic Name: 1-cyclopropyl-3-[[(1S)-6,7-dimethoxy-2-prop-2-enyl-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]methyl]thiourea Openeye Name: 1-[[(1S)-2-allyl-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]methyl]-3-cyclopropyl-thiourea CAS Name: 1-cyclopropyl-3-[[(1S)-6,7-dimethoxy-2-prop-2-enyl-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]methyl]thiourea IUPAC Name: 1-cyclopropyl-3-[[(1S)-6,7-dimethoxy-2-prop-2-enyl-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]methyl]thiourea Traditional Name: 1-[[(1S)-2-allyl-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]methyl]-3-cyclopropyl-thiourea Formula: C19H28N3O2S+ MolecularWeight: 362.50952

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C([NH+](CCC2=C1)CC=C)CNC(=S)NC3CC3)OC

Isomeric SMILES

COC1=C(C=C2[C@H]([NH+](CCC2=C1)CC=C)CNC(=S)NC3CC3)OC

InChI

InChI=1S/C19H27N3O2S/c1-4-8-22-9-7-13-10-17(23-2)18(24-3)11-15(13)16(22)12-20-19(25)21-14-5-6-14/h4,10-11,14,16H,1,5-9,12H2,2-3H3,(H2,20,21,25)/p+1/t16-/m1/s1