N-[(2R)-3-methyl-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)butyl]-4-oxidanylidene-3H-phthalazine-1-carboxamide

Systemtic Name: N-[(2R)-3-methyl-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)butyl]-4-oxidanylidene-3H-phthalazine-1-carboxamide Openeye Name: N-[(2R)-3-methyl-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)butyl]-4-oxo-3H-phthalazine-1-carboxamide CAS Name: N-[(2R)-3-methyl-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)butyl]-4-oxo-3H-phthalazine-1-carboxamide IUPAC Name: N-[(2R)-3-methyl-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)butyl]-4-oxo-3H-phthalazine-1-carboxamide Traditional Name: 4-keto-N-[(2R)-3-methyl-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)butyl]-3H-phthalazine-1-carboxamide Formula: C23H27N4O2+ MolecularWeight: 391.48608

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CNC(=O)C1=NNC(=O)C2=CC=CC=C21)[NH+]3CCC4=CC=CC=C4C3

Isomeric SMILES

CC(C)[C@H](CNC(=O)C1=NNC(=O)C2=CC=CC=C21)[NH+]3CCC4=CC=CC=C4C3

InChI

InChI=1S/C23H26N4O2/c1-15(2)20(27-12-11-16-7-3-4-8-17(16)14-27)13-24-23(29)21-18-9-5-6-10-19(18)22(28)26-25-21/h3-10,15,20H,11-14H2,1-2H3,(H,24,29)(H,26,28)/p+1/t20-/m0/s1