1-(2-nitrophenyl)sulfanyl-4-(phenylmethyl)piperazin-4-ium

Systemtic Name: 1-(2-nitrophenyl)sulfanyl-4-(phenylmethyl)piperazin-4-ium Openeye Name: 1-benzyl-4-(2-nitrophenyl)sulfanyl-piperazin-1-ium CAS Name: 1-[(2-nitrophenyl)thio]-4-(phenylmethyl)piperazin-4-ium IUPAC Name: 1-benzyl-4-(2-nitrophenyl)sulfanylpiperazin-1-ium Traditional Name: 1-benzyl-4-[(2-nitrophenyl)thio]piperazin-1-ium Formula: C17H20N3O2S+ MolecularWeight: 330.4246

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)SC3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)SC3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C17H19N3O2S/c21-20(22)16-8-4-5-9-17(16)23-19-12-10-18(11-13-19)14-15-6-2-1-3-7-15/h1-9H,10-14H2/p+1