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

Systemtic Name: (3-methyl-4-nitro-phenyl)-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]methanone Openeye Name: (3-methyl-4-nitro-phenyl)-[4-(3-thienylmethyl)piperazin-4-ium-1-yl]methanone CAS Name: (3-methyl-4-nitrophenyl)-[4-(3-thiophenylmethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: (3-methyl-4-nitrophenyl)-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]methanone Traditional Name: (3-methyl-4-nitro-phenyl)-[4-(3-thenyl)piperazin-4-ium-1-yl]methanone Formula: C17H20N3O3S+ MolecularWeight: 346.424

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)N2CC[NH+](CC2)CC3=CSC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)N2CC[NH+](CC2)CC3=CSC=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H19N3O3S/c1-13-10-15(2-3-16(13)20(22)23)17(21)19-7-5-18(6-8-19)11-14-4-9-24-12-14/h2-4,9-10,12H,5-8,11H2,1H3/p+1