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

Systemtic Name: 4-(4-cyano-1-propan-2-yl-5,6,7,8-tetrahydroisoquinolin-2-ium-3-yl)-N-prop-2-enyl-piperazine-1-carbothioamide Openeye Name: N-allyl-4-(4-cyano-1-isopropyl-5,6,7,8-tetrahydroisoquinolin-2-ium-3-yl)piperazine-1-carbothioamide CAS Name: 4-(4-cyano-1-propan-2-yl-5,6,7,8-tetrahydroisoquinolin-2-ium-3-yl)-N-prop-2-enyl-1-piperazinecarbothioamide IUPAC Name: 4-(4-cyano-1-propan-2-yl-5,6,7,8-tetrahydroisoquinolin-2-ium-3-yl)-N-prop-2-enylpiperazine-1-carbothioamide Traditional Name: N-allyl-4-(4-cyano-1-isopropyl-5,6,7,8-tetrahydroisoquinolin-2-ium-3-yl)piperazine-1-carbothioamide Formula: C21H30N5S+ MolecularWeight: 384.5614

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29N5S/c1-4-9-23-21(27)26-12-10-25(11-13-26)20-18(14-22)16-7-5-6-8-17(16)19(24-20)15(2)3/h4,15H,1,5-13H2,2-3H3,(H,23,27)/p+1