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

Systemtic Name: [2-(2-azanylethyl)-4-(2-methoxyphenyl)-1-(2-nitrophenyl)piperazin-1-ium-1-yl]-pyrazin-2-yl-methanone Openeye Name: [2-(2-aminoethyl)-4-(2-methoxyphenyl)-1-(2-nitrophenyl)piperazin-1-ium-1-yl]-pyrazin-2-yl-methanone CAS Name: [2-(2-aminoethyl)-4-(2-methoxyphenyl)-1-(2-nitrophenyl)-1-piperazin-1-iumyl]-(2-pyrazinyl)methanone IUPAC Name: [2-(2-aminoethyl)-4-(2-methoxyphenyl)-1-(2-nitrophenyl)piperazin-1-ium-1-yl]-pyrazin-2-ylmethanone Traditional Name: [2-(2-aminoethyl)-4-(2-methoxyphenyl)-1-(2-nitrophenyl)piperazin-1-ium-1-yl]-pyrazin-2-yl-methanone Formula: C24H27N6O4+ MolecularWeight: 463.50898

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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=NC=CN=C4

Isomeric SMILES

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

InChI

InChI=1S/C24H27N6O4/c1-34-23-9-5-3-7-21(23)28-14-15-30(18(17-28)10-11-25,24(31)19-16-26-12-13-27-19)22-8-4-2-6-20(22)29(32)33/h2-9,12-13,16,18H,10-11,14-15,17,25H2,1H3/q+1