(3-nitrophenyl)-[4-(phenylmethyl)piperazin-4-ium-1-yl]methanethione

Systemtic Name: (3-nitrophenyl)-[4-(phenylmethyl)piperazin-4-ium-1-yl]methanethione Openeye Name: (4-benzylpiperazin-4-ium-1-yl)-(3-nitrophenyl)methanethione CAS Name: (3-nitrophenyl)-[4-(phenylmethyl)-1-piperazin-4-iumyl]methanethione IUPAC Name: (4-benzylpiperazin-4-ium-1-yl)-(3-nitrophenyl)methanethione Traditional Name: (4-benzylpiperazin-4-ium-1-yl)-(3-nitrophenyl)methanethione Formula: C18H20N3O2S+ MolecularWeight: 342.4353

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19N3O2S/c22-21(23)17-8-4-7-16(13-17)18(24)20-11-9-19(10-12-20)14-15-5-2-1-3-6-15/h1-8,13H,9-12,14H2/p+1