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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)[NH+]2CCN(CC2)C(=S)NCC3=CC=CC=C3

Isomeric SMILES

C1CCC(CC1)[NH+]2CCN(CC2)C(=S)NCC3=CC=CC=C3

InChI

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