4-[(4-cyanophenyl)methyl]-N-[(1S,2S)-2-methylcyclohexyl]piperazin-4-ium-1-carbothioamide

Systemtic Name: 4-[(4-cyanophenyl)methyl]-N-[(1S,2S)-2-methylcyclohexyl]piperazin-4-ium-1-carbothioamide Openeye Name: 4-[(4-cyanophenyl)methyl]-N-[(1S,2S)-2-methylcyclohexyl]piperazin-4-ium-1-carbothioamide CAS Name: 4-[(4-cyanophenyl)methyl]-N-[(1S,2S)-2-methylcyclohexyl]-1-piperazin-4-iumcarbothioamide IUPAC Name: 4-[(4-cyanophenyl)methyl]-N-[(1S,2S)-2-methylcyclohexyl]piperazin-4-ium-1-carbothioamide Traditional Name: 4-(4-cyanobenzyl)-N-[(1S,2S)-2-methylcyclohexyl]piperazin-4-ium-1-carbothioamide Formula: C20H29N4S+ MolecularWeight: 357.53606

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1NC(=S)N2CC[NH+](CC2)CC3=CC=C(C=C3)C#N

Isomeric SMILES

C[C@H]1CCCC[C@@H]1NC(=S)N2CC[NH+](CC2)CC3=CC=C(C=C3)C#N

InChI

InChI=1S/C20H28N4S/c1-16-4-2-3-5-19(16)22-20(25)24-12-10-23(11-13-24)15-18-8-6-17(14-21)7-9-18/h6-9,16,19H,2-5,10-13,15H2,1H3,(H,22,25)/p+1/t16-,19-/m0/s1