1-(2-nitrothiophen-3-yl)-4-(phenylmethyl)piperazin-4-ium

Systemtic Name: 1-(2-nitrothiophen-3-yl)-4-(phenylmethyl)piperazin-4-ium Openeye Name: 1-benzyl-4-(2-nitro-3-thienyl)piperazin-1-ium CAS Name: 1-(2-nitro-3-thiophenyl)-4-(phenylmethyl)piperazin-4-ium IUPAC Name: 1-benzyl-4-(2-nitrothiophen-3-yl)piperazin-1-ium Traditional Name: 1-benzyl-4-(2-nitro-3-thienyl)piperazin-1-ium Formula: C15H18N3O2S+ MolecularWeight: 304.38732

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H17N3O2S/c19-18(20)15-14(6-11-21-15)17-9-7-16(8-10-17)12-13-4-2-1-3-5-13/h1-6,11H,7-10,12H2/p+1