[2-(2-azanylethyl)-4-(2-methoxyphenyl)-1-(2-nitrophenyl)piperazin-1-ium-1-yl]-thiophen-3-yl-methanone

Systemtic Name: [2-(2-azanylethyl)-4-(2-methoxyphenyl)-1-(2-nitrophenyl)piperazin-1-ium-1-yl]-thiophen-3-yl-methanone Openeye Name: [2-(2-aminoethyl)-4-(2-methoxyphenyl)-1-(2-nitrophenyl)piperazin-1-ium-1-yl]-(3-thienyl)methanone CAS Name: [2-(2-aminoethyl)-4-(2-methoxyphenyl)-1-(2-nitrophenyl)-1-piperazin-1-iumyl]-(3-thiophenyl)methanone IUPAC Name: [2-(2-aminoethyl)-4-(2-methoxyphenyl)-1-(2-nitrophenyl)piperazin-1-ium-1-yl]-thiophen-3-ylmethanone Traditional Name: [2-(2-aminoethyl)-4-(2-methoxyphenyl)-1-(2-nitrophenyl)piperazin-1-ium-1-yl]-(3-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=CSC=C4

Isomeric SMILES

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

InChI

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