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

Systemtic Name: 2-dimethylaminoethyl-(4,4-dimethyl-1-oxidanyl-1-oxidanylidene-pentan-2-yl)-(2-oxidanylidene-1H-quinazolin-4-ylidene)azanium Openeye Name: (1-carboxy-3,3-dimethyl-butyl)-(2-dimethylaminoethyl)-(2-oxo-1H-quinazolin-4-ylidene)ammonium CAS Name: 2-dimethylaminoethyl-(1-hydroxy-4,4-dimethyl-1-oxopentan-2-yl)-(2-oxo-1H-quinazolin-4-ylidene)ammonium IUPAC Name: 2-dimethylaminoethyl-(1-hydroxy-4,4-dimethyl-1-oxopentan-2-yl)-(2-oxo-1H-quinazolin-4-ylidene)azanium Traditional Name: (1-carboxy-3,3-dimethyl-butyl)-(2-dimethylaminoethyl)-(2-keto-1H-quinazolin-4-ylidene)ammonium Formula: C19H29N4O3+ MolecularWeight: 361.45856

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H28N4O3/c1-19(2,3)12-15(17(24)25)23(11-10-22(4)5)16-13-8-6-7-9-14(13)20-18(26)21-16/h6-9,15H,10-12H2,1-5H3,(H2,20,21,24,25,26)/p+1