N-(3-chlorophenyl)-4-(diphenylmethyl)piperazin-4-ium-1-carbothioamide

Systemtic Name: N-(3-chlorophenyl)-4-(diphenylmethyl)piperazin-4-ium-1-carbothioamide Openeye Name: 4-benzhydryl-N-(3-chlorophenyl)piperazin-4-ium-1-carbothioamide CAS Name: N-(3-chlorophenyl)-4-(diphenylmethyl)-1-piperazin-4-iumcarbothioamide IUPAC Name: 4-benzhydryl-N-(3-chlorophenyl)piperazin-4-ium-1-carbothioamide Traditional Name: 4-benzhydryl-N-(3-chlorophenyl)piperazin-4-ium-1-carbothioamide Formula: C24H25ClN3S+ MolecularWeight: 422.9934

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C(C2=CC=CC=C2)C3=CC=CC=C3)C(=S)NC4=CC(=CC=C4)Cl

Isomeric SMILES

C1CN(CC[NH+]1C(C2=CC=CC=C2)C3=CC=CC=C3)C(=S)NC4=CC(=CC=C4)Cl

InChI

InChI=1S/C24H24ClN3S/c25-21-12-7-13-22(18-21)26-24(29)28-16-14-27(15-17-28)23(19-8-3-1-4-9-19)20-10-5-2-6-11-20/h1-13,18,23H,14-17H2,(H,26,29)/p+1