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

Systemtic Name: [2-(2-azanylethyl)-2-(2-methoxyphenyl)-1-(2-nitrophenyl)piperazin-1-ium-1-yl]-thiophen-3-yl-methanone Openeye Name: [2-(2-aminoethyl)-2-(2-methoxyphenyl)-1-(2-nitrophenyl)piperazin-1-ium-1-yl]-(3-thienyl)methanone CAS Name: [2-(2-aminoethyl)-2-(2-methoxyphenyl)-1-(2-nitrophenyl)-1-piperazin-1-iumyl]-(3-thiophenyl)methanone IUPAC Name: [2-(2-aminoethyl)-2-(2-methoxyphenyl)-1-(2-nitrophenyl)piperazin-1-ium-1-yl]-thiophen-3-ylmethanone Traditional Name: [2-(2-aminoethyl)-2-(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=C1C2(CNCC[N+]2(C3=CC=CC=C3[N+](=O)[O-])C(=O)C4=CSC=C4)CCN

Isomeric SMILES

COC1=CC=CC=C1C2(CNCC[N+]2(C3=CC=CC=C3[N+](=O)[O-])C(=O)C4=CSC=C4)CCN

InChI

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