4-(4-cyano-1-propan-2-yl-5,6,7,8-tetrahydroisoquinolin-2-ium-3-yl)-N-cyclohexyl-piperazine-1-carbothioamide

Systemtic Name: 4-(4-cyano-1-propan-2-yl-5,6,7,8-tetrahydroisoquinolin-2-ium-3-yl)-N-cyclohexyl-piperazine-1-carbothioamide Openeye Name: 4-(4-cyano-1-isopropyl-5,6,7,8-tetrahydroisoquinolin-2-ium-3-yl)-N-cyclohexyl-piperazine-1-carbothioamide CAS Name: 4-(4-cyano-1-propan-2-yl-5,6,7,8-tetrahydroisoquinolin-2-ium-3-yl)-N-cyclohexyl-1-piperazinecarbothioamide IUPAC Name: 4-(4-cyano-1-propan-2-yl-5,6,7,8-tetrahydroisoquinolin-2-ium-3-yl)-N-cyclohexylpiperazine-1-carbothioamide Traditional Name: 4-(4-cyano-1-isopropyl-5,6,7,8-tetrahydroisoquinolin-2-ium-3-yl)-N-cyclohexyl-piperazine-1-carbothioamide Formula: C24H36N5S+ MolecularWeight: 426.64114

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C2CCCCC2=C(C(=[NH+]1)N3CCN(CC3)C(=S)NC4CCCCC4)C#N

Isomeric SMILES

CC(C)C1=C2CCCCC2=C(C(=[NH+]1)N3CCN(CC3)C(=S)NC4CCCCC4)C#N

InChI

InChI=1S/C24H35N5S/c1-17(2)22-20-11-7-6-10-19(20)21(16-25)23(27-22)28-12-14-29(15-13-28)24(30)26-18-8-4-3-5-9-18/h17-18H,3-15H2,1-2H3,(H,26,30)/p+1