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

Systemtic Name: (4,4-dimethyl-1-oxidanyl-1-oxidanylidene-pentan-2-yl)-(1-methylpiperidin-4-yl)-(2-oxidanylidene-1H-quinazolin-4-ylidene)azanium Openeye Name: (1-carboxy-3,3-dimethyl-butyl)-(1-methyl-4-piperidyl)-(2-oxo-1H-quinazolin-4-ylidene)ammonium CAS Name: (1-hydroxy-4,4-dimethyl-1-oxopentan-2-yl)-(1-methyl-4-piperidinyl)-(2-oxo-1H-quinazolin-4-ylidene)ammonium IUPAC Name: (1-hydroxy-4,4-dimethyl-1-oxopentan-2-yl)-(1-methylpiperidin-4-yl)-(2-oxo-1H-quinazolin-4-ylidene)azanium Traditional Name: (1-carboxy-3,3-dimethyl-butyl)-(2-keto-1H-quinazolin-4-ylidene)-(1-methyl-4-piperidyl)ammonium Formula: C21H31N4O3+ MolecularWeight: 387.49584

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(C(=O)O)[N+](=C1C2=CC=CC=C2NC(=O)N1)C3CCN(CC3)C

Isomeric SMILES

CC(C)(C)CC(C(=O)O)[N+](=C1C2=CC=CC=C2NC(=O)N1)C3CCN(CC3)C

InChI

InChI=1S/C21H30N4O3/c1-21(2,3)13-17(19(26)27)25(14-9-11-24(4)12-10-14)18-15-7-5-6-8-16(15)22-20(28)23-18/h5-8,14,17H,9-13H2,1-4H3,(H2,22,23,26,27,28)/p+1