dimethyl-[3-[2-[4-(3-methyl-4-oxidanylidene-phthalazin-1-yl)phenoxy]ethanoylamino]propyl]azanium

Systemtic Name: dimethyl-[3-[2-[4-(3-methyl-4-oxidanylidene-phthalazin-1-yl)phenoxy]ethanoylamino]propyl]azanium Openeye Name: dimethyl-[3-[[2-[4-(3-methyl-4-oxo-phthalazin-1-yl)phenoxy]acetyl]amino]propyl]ammonium CAS Name: dimethyl-[3-[[2-[4-(3-methyl-4-oxo-1-phthalazinyl)phenoxy]-1-oxoethyl]amino]propyl]ammonium IUPAC Name: dimethyl-[3-[[2-[4-(3-methyl-4-oxophthalazin-1-yl)phenoxy]acetyl]amino]propyl]azanium Traditional Name: 3-[[2-[4-(4-keto-3-methyl-phthalazin-1-yl)phenoxy]acetyl]amino]propyl-dimethyl-ammonium Formula: C22H27N4O3+ MolecularWeight: 395.47478

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=CC=CC=C2C(=N1)C3=CC=C(C=C3)OCC(=O)NCCC[NH+](C)C

Isomeric SMILES

CN1C(=O)C2=CC=CC=C2C(=N1)C3=CC=C(C=C3)OCC(=O)NCCC[NH+](C)C

InChI

InChI=1S/C22H26N4O3/c1-25(2)14-6-13-23-20(27)15-29-17-11-9-16(10-12-17)21-18-7-4-5-8-19(18)22(28)26(3)24-21/h4-5,7-12H,6,13-15H2,1-3H3,(H,23,27)/p+1