(4,4-dimethyl-1-oxidanyl-1-oxidanylidene-pentan-2-yl)-[2-(1-methylpiperidin-4-yl)ethyl]-(2-oxidanylidene-1H-quinazolin-4-ylidene)azanium

Systemtic Name: (4,4-dimethyl-1-oxidanyl-1-oxidanylidene-pentan-2-yl)-[2-(1-methylpiperidin-4-yl)ethyl]-(2-oxidanylidene-1H-quinazolin-4-ylidene)azanium Openeye Name: (1-carboxy-3,3-dimethyl-butyl)-[2-(1-methyl-4-piperidyl)ethyl]-(2-oxo-1H-quinazolin-4-ylidene)ammonium CAS Name: (1-hydroxy-4,4-dimethyl-1-oxopentan-2-yl)-[2-(1-methyl-4-piperidinyl)ethyl]-(2-oxo-1H-quinazolin-4-ylidene)ammonium IUPAC Name: (1-hydroxy-4,4-dimethyl-1-oxopentan-2-yl)-[2-(1-methylpiperidin-4-yl)ethyl]-(2-oxo-1H-quinazolin-4-ylidene)azanium Traditional Name: (1-carboxy-3,3-dimethyl-butyl)-(2-keto-1H-quinazolin-4-ylidene)-[2-(1-methyl-4-piperidyl)ethyl]ammonium Formula: C23H35N4O3+ MolecularWeight: 415.549

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(C(=O)O)[N+](=C1C2=CC=CC=C2NC(=O)N1)CCC3CCN(CC3)C

Isomeric SMILES

CC(C)(C)CC(C(=O)O)[N+](=C1C2=CC=CC=C2NC(=O)N1)CCC3CCN(CC3)C

InChI

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