5,8-bis(chloranyl)-3-[2-(1-methyl-4-oxidanyl-piperidin-1-ium-4-yl)ethyl]quinazolin-4-one

Systemtic Name: 5,8-bis(chloranyl)-3-[2-(1-methyl-4-oxidanyl-piperidin-1-ium-4-yl)ethyl]quinazolin-4-one Openeye Name: 5,8-dichloro-3-[2-(4-hydroxy-1-methyl-piperidin-1-ium-4-yl)ethyl]quinazolin-4-one CAS Name: 5,8-dichloro-3-[2-(4-hydroxy-1-methyl-4-piperidin-1-iumyl)ethyl]-4-quinazolinone IUPAC Name: 5,8-dichloro-3-[2-(4-hydroxy-1-methylpiperidin-1-ium-4-yl)ethyl]quinazolin-4-one Traditional Name: 5,8-dichloro-3-[2-(4-hydroxy-1-methyl-piperidin-1-ium-4-yl)ethyl]quinazolin-4-one Formula: C16H20Cl2N3O2+ MolecularWeight: 357.2549

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(CC1)(CCN2C=NC3=C(C=CC(=C3C2=O)Cl)Cl)O

Isomeric SMILES

C[NH+]1CCC(CC1)(CCN2C=NC3=C(C=CC(=C3C2=O)Cl)Cl)O

InChI

InChI=1S/C16H19Cl2N3O2/c1-20-7-4-16(23,5-8-20)6-9-21-10-19-14-12(18)3-2-11(17)13(14)15(21)22/h2-3,10,23H,4-9H2,1H3/p+1