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

Systemtic Name: 4-(4-cyano-1-phenyl-5,6,7,8-tetrahydroisoquinolin-2-ium-3-yl)-N-prop-2-enyl-piperazine-1-carbothioamide Openeye Name: N-allyl-4-(4-cyano-1-phenyl-5,6,7,8-tetrahydroisoquinolin-2-ium-3-yl)piperazine-1-carbothioamide CAS Name: 4-(4-cyano-1-phenyl-5,6,7,8-tetrahydroisoquinolin-2-ium-3-yl)-N-prop-2-enyl-1-piperazinecarbothioamide IUPAC Name: 4-(4-cyano-1-phenyl-5,6,7,8-tetrahydroisoquinolin-2-ium-3-yl)-N-prop-2-enylpiperazine-1-carbothioamide Traditional Name: N-allyl-4-(4-cyano-1-phenyl-5,6,7,8-tetrahydroisoquinolin-2-ium-3-yl)piperazine-1-carbothioamide Formula: C24H28N5S+ MolecularWeight: 418.57762

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC(=S)N1CCN(CC1)C2=[NH+]C(=C3CCCCC3=C2C#N)C4=CC=CC=C4

Isomeric SMILES

C=CCNC(=S)N1CCN(CC1)C2=[NH+]C(=C3CCCCC3=C2C#N)C4=CC=CC=C4

InChI

InChI=1S/C24H27N5S/c1-2-12-26-24(30)29-15-13-28(14-16-29)23-21(17-25)19-10-6-7-11-20(19)22(27-23)18-8-4-3-5-9-18/h2-5,8-9H,1,6-7,10-16H2,(H,26,30)/p+1