(2-methoxy-5-nitro-phenyl)-[4-(thiophen-2-ylmethyl)piperazin-4-ium-1-yl]methanone

Systemtic Name: (2-methoxy-5-nitro-phenyl)-[4-(thiophen-2-ylmethyl)piperazin-4-ium-1-yl]methanone Openeye Name: (2-methoxy-5-nitro-phenyl)-[4-(2-thienylmethyl)piperazin-4-ium-1-yl]methanone CAS Name: (2-methoxy-5-nitrophenyl)-[4-(thiophen-2-ylmethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: (2-methoxy-5-nitrophenyl)-[4-(thiophen-2-ylmethyl)piperazin-4-ium-1-yl]methanone Traditional Name: (2-methoxy-5-nitro-phenyl)-[4-(2-thenyl)piperazin-4-ium-1-yl]methanone Formula: C17H20N3O4S+ MolecularWeight: 362.4234

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)N2CC[NH+](CC2)CC3=CC=CS3

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)N2CC[NH+](CC2)CC3=CC=CS3

InChI

InChI=1S/C17H19N3O4S/c1-24-16-5-4-13(20(22)23)11-15(16)17(21)19-8-6-18(7-9-19)12-14-3-2-10-25-14/h2-5,10-11H,6-9,12H2,1H3/p+1