(4-bromanyl-3-nitro-phenyl)-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]methanone

Systemtic Name: (4-bromanyl-3-nitro-phenyl)-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]methanone Openeye Name: (4-bromo-3-nitro-phenyl)-[4-(3-thienylmethyl)piperazin-4-ium-1-yl]methanone CAS Name: (4-bromo-3-nitrophenyl)-[4-(3-thiophenylmethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: (4-bromo-3-nitrophenyl)-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]methanone Traditional Name: (4-bromo-3-nitro-phenyl)-[4-(3-thenyl)piperazin-4-ium-1-yl]methanone Formula: C16H17BrN3O3S+ MolecularWeight: 411.29348

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16BrN3O3S/c17-14-2-1-13(9-15(14)20(22)23)16(21)19-6-4-18(5-7-19)10-12-3-8-24-11-12/h1-3,8-9,11H,4-7,10H2/p+1