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

Systemtic Name: 2-methyl-4-[4-methyl-3-(piperidin-1-ium-1-ylmethyl)phenyl]phthalazin-1-one Openeye Name: 2-methyl-4-[4-methyl-3-(piperidin-1-ium-1-ylmethyl)phenyl]phthalazin-1-one CAS Name: 2-methyl-4-[4-methyl-3-(1-piperidin-1-iumylmethyl)phenyl]-1-phthalazinone IUPAC Name: 2-methyl-4-[4-methyl-3-(piperidin-1-ium-1-ylmethyl)phenyl]phthalazin-1-one Traditional Name: 2-methyl-4-[4-methyl-3-(piperidin-1-ium-1-ylmethyl)phenyl]phthalazin-1-one Formula: C22H26N3O+ MolecularWeight: 348.46134

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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+]4CCCCC4

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NN(C(=O)C3=CC=CC=C32)C)C[NH+]4CCCCC4

InChI

InChI=1S/C22H25N3O/c1-16-10-11-17(14-18(16)15-25-12-6-3-7-13-25)21-19-8-4-5-9-20(19)22(26)24(2)23-21/h4-5,8-11,14H,3,6-7,12-13,15H2,1-2H3/p+1