N-cyclohexyl-4-(phenylmethyl)piperazin-4-ium-1-carbothioamide

Systemtic Name: N-cyclohexyl-4-(phenylmethyl)piperazin-4-ium-1-carbothioamide Openeye Name: 4-benzyl-N-cyclohexyl-piperazin-4-ium-1-carbothioamide CAS Name: N-cyclohexyl-4-(phenylmethyl)-1-piperazin-4-iumcarbothioamide IUPAC Name: 4-benzyl-N-cyclohexylpiperazin-4-ium-1-carbothioamide Traditional Name: 4-benzyl-N-cyclohexyl-piperazin-4-ium-1-carbothioamide Formula: C18H28N3S+ MolecularWeight: 318.50002

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=S)N2CC[NH+](CC2)CC3=CC=CC=C3

Isomeric SMILES

C1CCC(CC1)NC(=S)N2CC[NH+](CC2)CC3=CC=CC=C3

InChI

InChI=1S/C18H27N3S/c22-18(19-17-9-5-2-6-10-17)21-13-11-20(12-14-21)15-16-7-3-1-4-8-16/h1,3-4,7-8,17H,2,5-6,9-15H2,(H,19,22)/p+1