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

Systemtic Name: 5,8-bis(chloranyl)-3-[(1-methyl-4-oxidanyl-piperidin-1-ium-4-yl)methyl]quinazolin-4-one Openeye Name: 5,8-dichloro-3-[(4-hydroxy-1-methyl-piperidin-1-ium-4-yl)methyl]quinazolin-4-one CAS Name: 5,8-dichloro-3-[(4-hydroxy-1-methyl-4-piperidin-1-iumyl)methyl]-4-quinazolinone IUPAC Name: 5,8-dichloro-3-[(4-hydroxy-1-methylpiperidin-1-ium-4-yl)methyl]quinazolin-4-one Traditional Name: 5,8-dichloro-3-[(4-hydroxy-1-methyl-piperidin-1-ium-4-yl)methyl]quinazolin-4-one Formula: C15H18Cl2N3O2+ MolecularWeight: 343.22832

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(CC1)(CN2C=NC3=C(C=CC(=C3C2=O)Cl)Cl)O

Isomeric SMILES

C[NH+]1CCC(CC1)(CN2C=NC3=C(C=CC(=C3C2=O)Cl)Cl)O

InChI

InChI=1S/C15H17Cl2N3O2/c1-19-6-4-15(22,5-7-19)8-20-9-18-13-11(17)3-2-10(16)12(13)14(20)21/h2-3,9,22H,4-8H2,1H3/p+1