3-[2-[6-(4-methoxyphenyl)-3-oxidanylidene-1,4-dihydropyridazin-2-yl]ethanoylamino]propyl-(phenylmethyl)-propan-2-yl-azanium

Systemtic Name: 3-[2-[6-(4-methoxyphenyl)-3-oxidanylidene-1,4-dihydropyridazin-2-yl]ethanoylamino]propyl-(phenylmethyl)-propan-2-yl-azanium Openeye Name: benzyl-isopropyl-[3-[[2-[6-(4-methoxyphenyl)-3-oxo-1,4-dihydropyridazin-2-yl]acetyl]amino]propyl]ammonium CAS Name: 3-[[2-[6-(4-methoxyphenyl)-3-oxo-1,4-dihydropyridazin-2-yl]-1-oxoethyl]amino]propyl-(phenylmethyl)-propan-2-ylammonium IUPAC Name: benzyl-[3-[[2-[6-(4-methoxyphenyl)-3-oxo-1,4-dihydropyridazin-2-yl]acetyl]amino]propyl]-propan-2-ylazanium Traditional Name: benzyl-isopropyl-[3-[[2-[3-keto-6-(4-methoxyphenyl)-1,4-dihydropyridazin-2-yl]acetyl]amino]propyl]ammonium Formula: C26H35N4O3+ MolecularWeight: 451.5811

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+](CCCNC(=O)CN1C(=O)CC=C(N1)C2=CC=C(C=C2)OC)CC3=CC=CC=C3

Isomeric SMILES

CC(C)[NH+](CCCNC(=O)CN1C(=O)CC=C(N1)C2=CC=C(C=C2)OC)CC3=CC=CC=C3

InChI

InChI=1S/C26H34N4O3/c1-20(2)29(18-21-8-5-4-6-9-21)17-7-16-27-25(31)19-30-26(32)15-14-24(28-30)22-10-12-23(33-3)13-11-22/h4-6,8-14,20,28H,7,15-19H2,1-3H3,(H,27,31)/p+1