1,6-dimethyl-1-(6-oxidanyl-7-oxidanylidene-3H-quinazolin-4-yl)-3-piperidin-4-yl-quinazolin-1-ium-2,4-dione

Systemtic Name: 1,6-dimethyl-1-(6-oxidanyl-7-oxidanylidene-3H-quinazolin-4-yl)-3-piperidin-4-yl-quinazolin-1-ium-2,4-dione Openeye Name: 1-(6-hydroxy-7-oxo-3H-quinazolin-4-yl)-1,6-dimethyl-3-(4-piperidyl)quinazolin-1-ium-2,4-dione CAS Name: 1-(6-hydroxy-7-oxo-3H-quinazolin-4-yl)-1,6-dimethyl-3-(4-piperidinyl)quinazolin-1-ium-2,4-dione IUPAC Name: 1-(6-hydroxy-7-oxo-3H-quinazolin-4-yl)-1,6-dimethyl-3-piperidin-4-ylquinazolin-1-ium-2,4-dione Traditional Name: 1-(6-hydroxy-7-keto-3H-quinazolin-4-yl)-1,6-dimethyl-3-(4-piperidyl)quinazolin-1-ium-2,4-quinone Formula: C23H24N5O4+ MolecularWeight: 434.46776

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)[N+](C(=O)N(C2=O)C3CCNCC3)(C)C4=C5C=C(C(=O)C=C5N=CN4)O

Isomeric SMILES

CC1=CC2=C(C=C1)[N+](C(=O)N(C2=O)C3CCNCC3)(C)C4=C5C=C(C(=O)C=C5N=CN4)O

InChI

InChI=1S/C23H23N5O4/c1-13-3-4-18-16(9-13)22(31)27(14-5-7-24-8-6-14)23(32)28(18,2)21-15-10-19(29)20(30)11-17(15)25-12-26-21/h3-4,9-12,14,24H,5-8H2,1-2H3,(H-,25,26,29,30)/p+1