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

Systemtic Name: [2-(2-azanylethyl)-4-(2-methoxyphenyl)-1-(2-nitrophenyl)piperazin-1-ium-1-yl]-pyridin-4-yl-methanone Openeye Name: [2-(2-aminoethyl)-4-(2-methoxyphenyl)-1-(2-nitrophenyl)piperazin-1-ium-1-yl]-(4-pyridyl)methanone CAS Name: [2-(2-aminoethyl)-4-(2-methoxyphenyl)-1-(2-nitrophenyl)-1-piperazin-1-iumyl]-pyridin-4-ylmethanone IUPAC Name: [2-(2-aminoethyl)-4-(2-methoxyphenyl)-1-(2-nitrophenyl)piperazin-1-ium-1-yl]-pyridin-4-ylmethanone Traditional Name: [2-(2-aminoethyl)-4-(2-methoxyphenyl)-1-(2-nitrophenyl)piperazin-1-ium-1-yl]-(4-pyridyl)methanone Formula: C25H28N5O4+ MolecularWeight: 462.52092

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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=NC=C4

Isomeric SMILES

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

InChI

InChI=1S/C25H28N5O4/c1-34-24-9-5-3-7-22(24)28-16-17-30(20(18-28)10-13-26,25(31)19-11-14-27-15-12-19)23-8-4-2-6-21(23)29(32)33/h2-9,11-12,14-15,20H,10,13,16-18,26H2,1H3/q+1