N-methyl-4-oxidanylidene-3-[(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)methyl]phthalazine-1-carboxamide

Systemtic Name: N-methyl-4-oxidanylidene-3-[(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)methyl]phthalazine-1-carboxamide Openeye Name: N-methyl-4-oxo-3-[(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)methyl]phthalazine-1-carboxamide CAS Name: N-methyl-4-oxo-3-[(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)methyl]-1-phthalazinecarboxamide IUPAC Name: N-methyl-4-oxo-3-[(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)methyl]phthalazine-1-carboxamide Traditional Name: 4-keto-N-methyl-3-[(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)methyl]phthalazine-1-carboxamide Formula: C22H23N4O2+ MolecularWeight: 375.44362

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1=NN(C(=O)C2=CC=CC=C21)C[NH+]3CCC(=CC3)C4=CC=CC=C4

Isomeric SMILES

CNC(=O)C1=NN(C(=O)C2=CC=CC=C21)C[NH+]3CCC(=CC3)C4=CC=CC=C4

InChI

InChI=1S/C22H22N4O2/c1-23-21(27)20-18-9-5-6-10-19(18)22(28)26(24-20)15-25-13-11-17(12-14-25)16-7-3-2-4-8-16/h2-11H,12-15H2,1H3,(H,23,27)/p+1