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

Systemtic Name: [2-(2-azanylethyl)-4-(2-methoxyphenyl)-1-(2-nitrophenyl)piperazin-1-ium-1-yl]-pyridin-3-yl-methanone Openeye Name: [2-(2-aminoethyl)-4-(2-methoxyphenyl)-1-(2-nitrophenyl)piperazin-1-ium-1-yl]-(3-pyridyl)methanone CAS Name: [2-(2-aminoethyl)-4-(2-methoxyphenyl)-1-(2-nitrophenyl)-1-piperazin-1-iumyl]-(3-pyridinyl)methanone IUPAC Name: [2-(2-aminoethyl)-4-(2-methoxyphenyl)-1-(2-nitrophenyl)piperazin-1-ium-1-yl]-pyridin-3-ylmethanone Traditional Name: [2-(2-aminoethyl)-4-(2-methoxyphenyl)-1-(2-nitrophenyl)piperazin-1-ium-1-yl]-(3-pyridyl)methanone Formula: C25H28N5O4+ MolecularWeight: 462.52092

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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