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

Systemtic Name: (4,4-dimethyl-1-oxidanyl-1-oxidanylidene-pentan-2-yl)-[2-(4-methylpiperazin-1-yl)ethyl]-(2-oxidanylidene-1H-quinazolin-4-ylidene)azanium Openeye Name: (1-carboxy-3,3-dimethyl-butyl)-[2-(4-methylpiperazin-1-yl)ethyl]-(2-oxo-1H-quinazolin-4-ylidene)ammonium CAS Name: (1-hydroxy-4,4-dimethyl-1-oxopentan-2-yl)-[2-(4-methyl-1-piperazinyl)ethyl]-(2-oxo-1H-quinazolin-4-ylidene)ammonium IUPAC Name: (1-hydroxy-4,4-dimethyl-1-oxopentan-2-yl)-[2-(4-methylpiperazin-1-yl)ethyl]-(2-oxo-1H-quinazolin-4-ylidene)azanium Traditional Name: (1-carboxy-3,3-dimethyl-butyl)-(2-keto-1H-quinazolin-4-ylidene)-[2-(4-methylpiperazino)ethyl]ammonium Formula: C22H34N5O3+ MolecularWeight: 416.53706

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(C(=O)O)[N+](=C1C2=CC=CC=C2NC(=O)N1)CCN3CCN(CC3)C

Isomeric SMILES

CC(C)(C)CC(C(=O)O)[N+](=C1C2=CC=CC=C2NC(=O)N1)CCN3CCN(CC3)C

InChI

InChI=1S/C22H33N5O3/c1-22(2,3)15-18(20(28)29)27(14-13-26-11-9-25(4)10-12-26)19-16-7-5-6-8-17(16)23-21(30)24-19/h5-8,18H,9-15H2,1-4H3,(H2,23,24,28,29,30)/p+1