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

Systemtic Name: (3-methyl-4-nitro-phenyl)-[4-(thiophen-2-ylmethyl)piperazin-4-ium-1-yl]methanone Openeye Name: (3-methyl-4-nitro-phenyl)-[4-(2-thienylmethyl)piperazin-4-ium-1-yl]methanone CAS Name: (3-methyl-4-nitrophenyl)-[4-(thiophen-2-ylmethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: (3-methyl-4-nitrophenyl)-[4-(thiophen-2-ylmethyl)piperazin-4-ium-1-yl]methanone Traditional Name: (3-methyl-4-nitro-phenyl)-[4-(2-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=CC=CS3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)N2CC[NH+](CC2)CC3=CC=CS3)[N+](=O)[O-]

InChI

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