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

Systemtic Name: 4-(4-cyano-1-methyl-5,6,7,8-tetrahydroisoquinolin-2-ium-3-yl)-N-phenyl-piperazine-1-carbothioamide Openeye Name: 4-(4-cyano-1-methyl-5,6,7,8-tetrahydroisoquinolin-2-ium-3-yl)-N-phenyl-piperazine-1-carbothioamide CAS Name: 4-(4-cyano-1-methyl-5,6,7,8-tetrahydroisoquinolin-2-ium-3-yl)-N-phenyl-1-piperazinecarbothioamide IUPAC Name: 4-(4-cyano-1-methyl-5,6,7,8-tetrahydroisoquinolin-2-ium-3-yl)-N-phenylpiperazine-1-carbothioamide Traditional Name: 4-(4-cyano-1-methyl-5,6,7,8-tetrahydroisoquinolin-2-ium-3-yl)-N-phenyl-piperazine-1-carbothioamide Formula: C22H26N5S+ MolecularWeight: 392.54034

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2CCCCC2=C(C(=[NH+]1)N3CCN(CC3)C(=S)NC4=CC=CC=C4)C#N

Isomeric SMILES

CC1=C2CCCCC2=C(C(=[NH+]1)N3CCN(CC3)C(=S)NC4=CC=CC=C4)C#N

InChI

InChI=1S/C22H25N5S/c1-16-18-9-5-6-10-19(18)20(15-23)21(24-16)26-11-13-27(14-12-26)22(28)25-17-7-3-2-4-8-17/h2-4,7-8H,5-6,9-14H2,1H3,(H,25,28)/p+1