2-methyl-4-[4-methyl-3-(morpholin-4-ium-4-ylmethyl)phenyl]phthalazin-1-one

Systemtic Name: 2-methyl-4-[4-methyl-3-(morpholin-4-ium-4-ylmethyl)phenyl]phthalazin-1-one Openeye Name: 2-methyl-4-[4-methyl-3-(morpholin-4-ium-4-ylmethyl)phenyl]phthalazin-1-one CAS Name: 2-methyl-4-[4-methyl-3-(4-morpholin-4-iumylmethyl)phenyl]-1-phthalazinone IUPAC Name: 2-methyl-4-[4-methyl-3-(morpholin-4-ium-4-ylmethyl)phenyl]phthalazin-1-one Traditional Name: 2-methyl-4-[4-methyl-3-(morpholin-4-ium-4-ylmethyl)phenyl]phthalazin-1-one Formula: C21H24N3O2+ MolecularWeight: 350.43416

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NN(C(=O)C3=CC=CC=C32)C)C[NH+]4CCOCC4

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NN(C(=O)C3=CC=CC=C32)C)C[NH+]4CCOCC4

InChI

InChI=1S/C21H23N3O2/c1-15-7-8-16(13-17(15)14-24-9-11-26-12-10-24)20-18-5-3-4-6-19(18)21(25)23(2)22-20/h3-8,13H,9-12,14H2,1-2H3/p+1