(5-cyano-3,4-dimethyl-6-oxidanylidene-pyridazin-1-yl)methyl-methyl-[2-[(4-morpholin-4-ylphenyl)amino]-2-oxidanylidene-ethyl]azanium

Systemtic Name: (5-cyano-3,4-dimethyl-6-oxidanylidene-pyridazin-1-yl)methyl-methyl-[2-[(4-morpholin-4-ylphenyl)amino]-2-oxidanylidene-ethyl]azanium Openeye Name: (5-cyano-3,4-dimethyl-6-oxo-pyridazin-1-yl)methyl-methyl-[2-(4-morpholinoanilino)-2-oxo-ethyl]ammonium CAS Name: (5-cyano-3,4-dimethyl-6-oxo-1-pyridazinyl)methyl-methyl-[2-[4-(4-morpholinyl)anilino]-2-oxoethyl]ammonium IUPAC Name: (5-cyano-3,4-dimethyl-6-oxopyridazin-1-yl)methyl-methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]azanium Traditional Name: (5-cyano-6-keto-3,4-dimethyl-pyridazin-1-yl)methyl-[2-keto-2-(4-morpholinoanilino)ethyl]-methyl-ammonium Formula: C21H27N6O3+ MolecularWeight: 411.47748

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N=C1C)C[NH+](C)CC(=O)NC2=CC=C(C=C2)N3CCOCC3)C#N

Isomeric SMILES

CC1=C(C(=O)N(N=C1C)C[NH+](C)CC(=O)NC2=CC=C(C=C2)N3CCOCC3)C#N

InChI

InChI=1S/C21H26N6O3/c1-15-16(2)24-27(21(29)19(15)12-22)14-25(3)13-20(28)23-17-4-6-18(7-5-17)26-8-10-30-11-9-26/h4-7H,8-11,13-14H2,1-3H3,(H,23,28)/p+1