4-cyclohexyl-N-[(1S)-1-phenylethyl]piperazin-4-ium-1-carbothioamide

Systemtic Name: 4-cyclohexyl-N-[(1S)-1-phenylethyl]piperazin-4-ium-1-carbothioamide Openeye Name: 4-cyclohexyl-N-[(1S)-1-phenylethyl]piperazin-4-ium-1-carbothioamide CAS Name: 4-cyclohexyl-N-[(1S)-1-phenylethyl]-1-piperazin-4-iumcarbothioamide IUPAC Name: 4-cyclohexyl-N-[(1S)-1-phenylethyl]piperazin-4-ium-1-carbothioamide Traditional Name: 4-cyclohexyl-N-[(1S)-1-phenylethyl]piperazin-4-ium-1-carbothioamide Formula: C19H30N3S+ MolecularWeight: 332.5266

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC(=S)N2CC[NH+](CC2)C3CCCCC3

Isomeric SMILES

C[C@@H](C1=CC=CC=C1)NC(=S)N2CC[NH+](CC2)C3CCCCC3

InChI

InChI=1S/C19H29N3S/c1-16(17-8-4-2-5-9-17)20-19(23)22-14-12-21(13-15-22)18-10-6-3-7-11-18/h2,4-5,8-9,16,18H,3,6-7,10-15H2,1H3,(H,20,23)/p+1/t16-/m0/s1