6,8-dimethyl-3-[(1-methyl-4-oxidanyl-piperidin-1-ium-4-yl)methyl]quinazolin-4-one

Systemtic Name: 6,8-dimethyl-3-[(1-methyl-4-oxidanyl-piperidin-1-ium-4-yl)methyl]quinazolin-4-one Openeye Name: 3-[(4-hydroxy-1-methyl-piperidin-1-ium-4-yl)methyl]-6,8-dimethyl-quinazolin-4-one CAS Name: 3-[(4-hydroxy-1-methyl-4-piperidin-1-iumyl)methyl]-6,8-dimethyl-4-quinazolinone IUPAC Name: 3-[(4-hydroxy-1-methylpiperidin-1-ium-4-yl)methyl]-6,8-dimethylquinazolin-4-one Traditional Name: 3-[(4-hydroxy-1-methyl-piperidin-1-ium-4-yl)methyl]-6,8-dimethyl-quinazolin-4-one Formula: C17H24N3O2+ MolecularWeight: 302.39136

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)C(=O)N(C=N2)CC3(CC[NH+](CC3)C)O)C

Isomeric SMILES

CC1=CC(=C2C(=C1)C(=O)N(C=N2)CC3(CC[NH+](CC3)C)O)C

InChI

InChI=1S/C17H23N3O2/c1-12-8-13(2)15-14(9-12)16(21)20(11-18-15)10-17(22)4-6-19(3)7-5-17/h8-9,11,22H,4-7,10H2,1-3H3/p+1