(5,5-dimethyl-1-oxidanyl-1-oxidanylidene-hexan-2-yl)-(2-oxidanylidene-1H-quinazolin-4-ylidene)-(1-piperidin-4-ylethyl)azanium

Systemtic Name: (5,5-dimethyl-1-oxidanyl-1-oxidanylidene-hexan-2-yl)-(2-oxidanylidene-1H-quinazolin-4-ylidene)-(1-piperidin-4-ylethyl)azanium Openeye Name: (1-carboxy-4,4-dimethyl-pentyl)-(2-oxo-1H-quinazolin-4-ylidene)-[1-(4-piperidyl)ethyl]ammonium CAS Name: (1-hydroxy-5,5-dimethyl-1-oxohexan-2-yl)-(2-oxo-1H-quinazolin-4-ylidene)-[1-(4-piperidinyl)ethyl]ammonium IUPAC Name: (1-hydroxy-5,5-dimethyl-1-oxohexan-2-yl)-(2-oxo-1H-quinazolin-4-ylidene)-(1-piperidin-4-ylethyl)azanium Traditional Name: (1-carboxy-4,4-dimethyl-pentyl)-(2-keto-1H-quinazolin-4-ylidene)-[1-(4-piperidyl)ethyl]ammonium Formula: C23H35N4O3+ MolecularWeight: 415.549

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1CCNCC1)[N+](=C2C3=CC=CC=C3NC(=O)N2)C(CCC(C)(C)C)C(=O)O

Isomeric SMILES

CC(C1CCNCC1)[N+](=C2C3=CC=CC=C3NC(=O)N2)C(CCC(C)(C)C)C(=O)O

InChI

InChI=1S/C23H34N4O3/c1-15(16-10-13-24-14-11-16)27(19(21(28)29)9-12-23(2,3)4)20-17-7-5-6-8-18(17)25-22(30)26-20/h5-8,15-16,19,24H,9-14H2,1-4H3,(H2,25,26,28,29,30)/p+1