N-[4-(morpholin-4-ium-4-ylmethyl)phenyl]-2-(4-oxidanylidene-3H-phthalazin-1-yl)ethanamide

Systemtic Name: N-[4-(morpholin-4-ium-4-ylmethyl)phenyl]-2-(4-oxidanylidene-3H-phthalazin-1-yl)ethanamide Openeye Name: N-[4-(morpholin-4-ium-4-ylmethyl)phenyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide CAS Name: N-[4-(4-morpholin-4-iumylmethyl)phenyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide IUPAC Name: N-[4-(morpholin-4-ium-4-ylmethyl)phenyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide Traditional Name: 2-(4-keto-3H-phthalazin-1-yl)-N-[4-(morpholin-4-ium-4-ylmethyl)phenyl]acetamide Formula: C21H23N4O3+ MolecularWeight: 379.43232

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CC2=CC=C(C=C2)NC(=O)CC3=NNC(=O)C4=CC=CC=C43

Isomeric SMILES

C1COCC[NH+]1CC2=CC=C(C=C2)NC(=O)CC3=NNC(=O)C4=CC=CC=C43

InChI

InChI=1S/C21H22N4O3/c26-20(13-19-17-3-1-2-4-18(17)21(27)24-23-19)22-16-7-5-15(6-8-16)14-25-9-11-28-12-10-25/h1-8H,9-14H2,(H,22,26)(H,24,27)/p+1