[2-(2-azanylethyl)-4-(2-methoxyphenyl)-1-(2-nitrophenyl)piperazin-1-ium-1-yl]-thiophen-2-yl-methanone

Systemtic Name: [2-(2-azanylethyl)-4-(2-methoxyphenyl)-1-(2-nitrophenyl)piperazin-1-ium-1-yl]-thiophen-2-yl-methanone Openeye Name: [2-(2-aminoethyl)-4-(2-methoxyphenyl)-1-(2-nitrophenyl)piperazin-1-ium-1-yl]-(2-thienyl)methanone CAS Name: [2-(2-aminoethyl)-4-(2-methoxyphenyl)-1-(2-nitrophenyl)-1-piperazin-1-iumyl]-thiophen-2-ylmethanone IUPAC Name: [2-(2-aminoethyl)-4-(2-methoxyphenyl)-1-(2-nitrophenyl)piperazin-1-ium-1-yl]-thiophen-2-ylmethanone Traditional Name: [2-(2-aminoethyl)-4-(2-methoxyphenyl)-1-(2-nitrophenyl)piperazin-1-ium-1-yl]-(2-thienyl)methanone Formula: C24H27N4O4S+ MolecularWeight: 467.56058

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CC[N+](C(C2)CCN)(C3=CC=CC=C3[N+](=O)[O-])C(=O)C4=CC=CS4

Isomeric SMILES

COC1=CC=CC=C1N2CC[N+](C(C2)CCN)(C3=CC=CC=C3[N+](=O)[O-])C(=O)C4=CC=CS4

InChI

InChI=1S/C24H27N4O4S/c1-32-22-10-5-3-8-20(22)26-14-15-28(18(17-26)12-13-25,24(29)23-11-6-16-33-23)21-9-4-2-7-19(21)27(30)31/h2-11,16,18H,12-15,17,25H2,1H3/q+1