4-(diphenylmethyl)-N-(2-methylpropyl)piperazin-4-ium-1-carbothioamide

Systemtic Name: 4-(diphenylmethyl)-N-(2-methylpropyl)piperazin-4-ium-1-carbothioamide Openeye Name: 4-benzhydryl-N-isobutyl-piperazin-4-ium-1-carbothioamide CAS Name: 4-(diphenylmethyl)-N-(2-methylpropyl)-1-piperazin-4-iumcarbothioamide IUPAC Name: 4-benzhydryl-N-(2-methylpropyl)piperazin-4-ium-1-carbothioamide Traditional Name: 4-benzhydryl-N-isobutyl-piperazin-4-ium-1-carbothioamide Formula: C22H30N3S+ MolecularWeight: 368.5587

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=S)N1CC[NH+](CC1)C(C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CC(C)CNC(=S)N1CC[NH+](CC1)C(C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C22H29N3S/c1-18(2)17-23-22(26)25-15-13-24(14-16-25)21(19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3-12,18,21H,13-17H2,1-2H3,(H,23,26)/p+1