2-[[4-(2,4-dimethylphenyl)carbonylpiperidin-1-ium-1-yl]methyl]-1H-quinazolin-4-one

Systemtic Name: 2-[[4-(2,4-dimethylphenyl)carbonylpiperidin-1-ium-1-yl]methyl]-1H-quinazolin-4-one Openeye Name: 2-[[4-(2,4-dimethylbenzoyl)piperidin-1-ium-1-yl]methyl]-1H-quinazolin-4-one CAS Name: 2-[[4-[(2,4-dimethylphenyl)-oxomethyl]-1-piperidin-1-iumyl]methyl]-1H-quinazolin-4-one IUPAC Name: 2-[[4-(2,4-dimethylbenzoyl)piperidin-1-ium-1-yl]methyl]-1H-quinazolin-4-one Traditional Name: 2-[[4-(2,4-dimethylbenzoyl)piperidin-1-ium-1-yl]methyl]-1H-quinazolin-4-one Formula: C23H26N3O2+ MolecularWeight: 376.47144

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(=O)C2CC[NH+](CC2)CC3=NC(=O)C4=CC=CC=C4N3)C

Isomeric SMILES

CC1=CC(=C(C=C1)C(=O)C2CC[NH+](CC2)CC3=NC(=O)C4=CC=CC=C4N3)C

InChI

InChI=1S/C23H25N3O2/c1-15-7-8-18(16(2)13-15)22(27)17-9-11-26(12-10-17)14-21-24-20-6-4-3-5-19(20)23(28)25-21/h3-8,13,17H,9-12,14H2,1-2H3,(H,24,25,28)/p+1