N-cyclopentyl-4-(diphenylmethyl)piperazin-4-ium-1-carbothioamide

Systemtic Name: N-cyclopentyl-4-(diphenylmethyl)piperazin-4-ium-1-carbothioamide Openeye Name: 4-benzhydryl-N-cyclopentyl-piperazin-4-ium-1-carbothioamide CAS Name: N-cyclopentyl-4-(diphenylmethyl)-1-piperazin-4-iumcarbothioamide IUPAC Name: 4-benzhydryl-N-cyclopentylpiperazin-4-ium-1-carbothioamide Traditional Name: 4-benzhydryl-N-cyclopentyl-piperazin-4-ium-1-carbothioamide Formula: C23H30N3S+ MolecularWeight: 380.5694

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)NC(=S)N2CC[NH+](CC2)C(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

C1CCC(C1)NC(=S)N2CC[NH+](CC2)C(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C23H29N3S/c27-23(24-21-13-7-8-14-21)26-17-15-25(16-18-26)22(19-9-3-1-4-10-19)20-11-5-2-6-12-20/h1-6,9-12,21-22H,7-8,13-18H2,(H,24,27)/p+1