(2-methoxy-5-nitro-phenyl)-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]methanone

Systemtic Name: (2-methoxy-5-nitro-phenyl)-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]methanone Openeye Name: (2-methoxy-5-nitro-phenyl)-[4-(3-thienylmethyl)piperazin-4-ium-1-yl]methanone CAS Name: (2-methoxy-5-nitrophenyl)-[4-(3-thiophenylmethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: (2-methoxy-5-nitrophenyl)-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]methanone Traditional Name: (2-methoxy-5-nitro-phenyl)-[4-(3-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=CSC=C3

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)N2CC[NH+](CC2)CC3=CSC=C3

InChI

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