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

Systemtic Name: N-phenyl-4-(phenylmethyl)piperazin-4-ium-1-carbothioamide Openeye Name: 4-benzyl-N-phenyl-piperazin-4-ium-1-carbothioamide CAS Name: N-phenyl-4-(phenylmethyl)-1-piperazin-4-iumcarbothioamide IUPAC Name: 4-benzyl-N-phenylpiperazin-4-ium-1-carbothioamide Traditional Name: 4-benzyl-N-phenyl-piperazin-4-ium-1-carbothioamide Formula: C18H22N3S+ MolecularWeight: 312.45238

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=S)NC3=CC=CC=C3

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=S)NC3=CC=CC=C3

InChI

InChI=1S/C18H21N3S/c22-18(19-17-9-5-2-6-10-17)21-13-11-20(12-14-21)15-16-7-3-1-4-8-16/h1-10H,11-15H2,(H,19,22)/p+1