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

Systemtic Name: (4,4-dimethyl-1-oxidanyl-1-oxidanylidene-pentan-2-yl)-(2-oxidanylidene-1H-quinazolin-4-ylidene)-(1-piperidin-4-ylethyl)azanium Openeye Name: (1-carboxy-3,3-dimethyl-butyl)-(2-oxo-1H-quinazolin-4-ylidene)-[1-(4-piperidyl)ethyl]ammonium CAS Name: (1-hydroxy-4,4-dimethyl-1-oxopentan-2-yl)-(2-oxo-1H-quinazolin-4-ylidene)-[1-(4-piperidinyl)ethyl]ammonium IUPAC Name: (1-hydroxy-4,4-dimethyl-1-oxopentan-2-yl)-(2-oxo-1H-quinazolin-4-ylidene)-(1-piperidin-4-ylethyl)azanium Traditional Name: (1-carboxy-3,3-dimethyl-butyl)-(2-keto-1H-quinazolin-4-ylidene)-[1-(4-piperidyl)ethyl]ammonium Formula: C22H33N4O3+ MolecularWeight: 401.52242

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H32N4O3/c1-14(15-9-11-23-12-10-15)26(18(20(27)28)13-22(2,3)4)19-16-7-5-6-8-17(16)24-21(29)25-19/h5-8,14-15,18,23H,9-13H2,1-4H3,(H2,24,25,27,28,29)/p+1