2-[(3-nitrophenyl)amino]-1-[4-(thiophen-2-ylmethyl)piperazin-4-ium-1-yl]ethanone

Systemtic Name: 2-[(3-nitrophenyl)amino]-1-[4-(thiophen-2-ylmethyl)piperazin-4-ium-1-yl]ethanone Openeye Name: 2-(3-nitroanilino)-1-[4-(2-thienylmethyl)piperazin-4-ium-1-yl]ethanone CAS Name: 2-(3-nitroanilino)-1-[4-(thiophen-2-ylmethyl)-1-piperazin-4-iumyl]ethanone IUPAC Name: 2-(3-nitroanilino)-1-[4-(thiophen-2-ylmethyl)piperazin-4-ium-1-yl]ethanone Traditional Name: 2-(3-nitroanilino)-1-[4-(2-thenyl)piperazin-4-ium-1-yl]ethanone Formula: C17H21N4O3S+ MolecularWeight: 361.43864

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CS2)C(=O)CNC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CS2)C(=O)CNC3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H20N4O3S/c22-17(12-18-14-3-1-4-15(11-14)21(23)24)20-8-6-19(7-9-20)13-16-5-2-10-25-16/h1-5,10-11,18H,6-9,12-13H2/p+1