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

Systemtic Name: 4-(4-cyano-1-methyl-5,6,7,8-tetrahydroisoquinolin-2-ium-3-yl)-N-(phenylmethyl)piperazine-1-carbothioamide Openeye Name: N-benzyl-4-(4-cyano-1-methyl-5,6,7,8-tetrahydroisoquinolin-2-ium-3-yl)piperazine-1-carbothioamide CAS Name: 4-(4-cyano-1-methyl-5,6,7,8-tetrahydroisoquinolin-2-ium-3-yl)-N-(phenylmethyl)-1-piperazinecarbothioamide IUPAC Name: N-benzyl-4-(4-cyano-1-methyl-5,6,7,8-tetrahydroisoquinolin-2-ium-3-yl)piperazine-1-carbothioamide Traditional Name: N-benzyl-4-(4-cyano-1-methyl-5,6,7,8-tetrahydroisoquinolin-2-ium-3-yl)piperazine-1-carbothioamide Formula: C23H28N5S+ MolecularWeight: 406.56692

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2CCCCC2=C(C(=[NH+]1)N3CCN(CC3)C(=S)NCC4=CC=CC=C4)C#N

Isomeric SMILES

CC1=C2CCCCC2=C(C(=[NH+]1)N3CCN(CC3)C(=S)NCC4=CC=CC=C4)C#N

InChI

InChI=1S/C23H27N5S/c1-17-19-9-5-6-10-20(19)21(15-24)22(26-17)27-11-13-28(14-12-27)23(29)25-16-18-7-3-2-4-8-18/h2-4,7-8H,5-6,9-14,16H2,1H3,(H,25,29)/p+1