4-[4-(phenylmethyl)piperazin-4-ium-1-yl]benzenecarbothioamide

Systemtic Name: 4-[4-(phenylmethyl)piperazin-4-ium-1-yl]benzenecarbothioamide Openeye Name: 4-(4-benzylpiperazin-4-ium-1-yl)benzenecarbothioamide CAS Name: 4-[4-(phenylmethyl)-1-piperazin-4-iumyl]benzenecarbothioamide IUPAC Name: 4-(4-benzylpiperazin-4-ium-1-yl)benzenecarbothioamide Traditional Name: 4-(4-benzylpiperazin-4-ium-1-yl)thiobenzamide Formula: C18H22N3S+ MolecularWeight: 312.45238

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21N3S/c19-18(22)16-6-8-17(9-7-16)21-12-10-20(11-13-21)14-15-4-2-1-3-5-15/h1-9H,10-14H2,(H2,19,22)/p+1