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

Systemtic Name: 4-(diphenylmethyl)-N-phenethyl-piperazin-4-ium-1-carbothioamide Openeye Name: 4-benzhydryl-N-phenethyl-piperazin-4-ium-1-carbothioamide CAS Name: 4-(diphenylmethyl)-N-phenethyl-1-piperazin-4-iumcarbothioamide IUPAC Name: 4-benzhydryl-N-phenethylpiperazin-4-ium-1-carbothioamide Traditional Name: 4-benzhydryl-N-phenethyl-piperazin-4-ium-1-carbothioamide Formula: C26H30N3S+ MolecularWeight: 416.6015

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C(C2=CC=CC=C2)C3=CC=CC=C3)C(=S)NCCC4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1C(C2=CC=CC=C2)C3=CC=CC=C3)C(=S)NCCC4=CC=CC=C4

InChI

InChI=1S/C26H29N3S/c30-26(27-17-16-22-10-4-1-5-11-22)29-20-18-28(19-21-29)25(23-12-6-2-7-13-23)24-14-8-3-9-15-24/h1-15,25H,16-21H2,(H,27,30)/p+1