[4-[(5-bromanylthiophen-2-yl)methyl]piperazin-4-ium-1-yl]-(3-nitrophenyl)methanone

Systemtic Name: [4-[(5-bromanylthiophen-2-yl)methyl]piperazin-4-ium-1-yl]-(3-nitrophenyl)methanone Openeye Name: [4-[(5-bromo-2-thienyl)methyl]piperazin-4-ium-1-yl]-(3-nitrophenyl)methanone CAS Name: [4-[(5-bromo-2-thiophenyl)methyl]-1-piperazin-4-iumyl]-(3-nitrophenyl)methanone IUPAC Name: [4-[(5-bromothiophen-2-yl)methyl]piperazin-4-ium-1-yl]-(3-nitrophenyl)methanone Traditional Name: [4-[(5-bromo-2-thienyl)methyl]piperazin-4-ium-1-yl]-(3-nitrophenyl)methanone Formula: C16H17BrN3O3S+ MolecularWeight: 411.29348

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=C(S2)Br)C(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=C(S2)Br)C(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

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