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

Systemtic Name: N-cyclopentyl-4-(phenylmethyl)piperazin-4-ium-1-carbothioamide Openeye Name: 4-benzyl-N-cyclopentyl-piperazin-4-ium-1-carbothioamide CAS Name: N-cyclopentyl-4-(phenylmethyl)-1-piperazin-4-iumcarbothioamide IUPAC Name: 4-benzyl-N-cyclopentylpiperazin-4-ium-1-carbothioamide Traditional Name: 4-benzyl-N-cyclopentyl-piperazin-4-ium-1-carbothioamide Formula: C17H26N3S+ MolecularWeight: 304.47344

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)NC(=S)N2CC[NH+](CC2)CC3=CC=CC=C3

Isomeric SMILES

C1CCC(C1)NC(=S)N2CC[NH+](CC2)CC3=CC=CC=C3

InChI

InChI=1S/C17H25N3S/c21-17(18-16-8-4-5-9-16)20-12-10-19(11-13-20)14-15-6-2-1-3-7-15/h1-3,6-7,16H,4-5,8-14H2,(H,18,21)/p+1