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

Systemtic Name: 4-(phenylmethyl)piperazin-4-ium-1-carbothioamide Openeye Name: 4-benzylpiperazin-4-ium-1-carbothioamide CAS Name: 4-(phenylmethyl)-1-piperazin-4-iumcarbothioamide IUPAC Name: 4-benzylpiperazin-4-ium-1-carbothioamide Traditional Name: 4-benzylpiperazin-4-ium-1-carbothioamide Formula: C12H18N3S+ MolecularWeight: 236.35642

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H17N3S/c13-12(16)15-8-6-14(7-9-15)10-11-4-2-1-3-5-11/h1-5H,6-10H2,(H2,13,16)/p+1