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

Systemtic Name: 4-(diphenylmethyl)-N-propyl-piperazin-4-ium-1-carbothioamide Openeye Name: 4-benzhydryl-N-propyl-piperazin-4-ium-1-carbothioamide CAS Name: 4-(diphenylmethyl)-N-propyl-1-piperazin-4-iumcarbothioamide IUPAC Name: 4-benzhydryl-N-propylpiperazin-4-ium-1-carbothioamide Traditional Name: 4-benzhydryl-N-propyl-piperazin-4-ium-1-carbothioamide Formula: C21H28N3S+ MolecularWeight: 354.53212

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N3S/c1-2-13-22-21(25)24-16-14-23(15-17-24)20(18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-12,20H,2,13-17H2,1H3,(H,22,25)/p+1