[3-(2-azanyl-2-oxidanylidene-ethyl)-4-oxidanylidene-quinazolin-2-yl]methyl-[(4-tert-butylphenyl)methyl]-methyl-azanium

Systemtic Name: [3-(2-azanyl-2-oxidanylidene-ethyl)-4-oxidanylidene-quinazolin-2-yl]methyl-[(4-tert-butylphenyl)methyl]-methyl-azanium Openeye Name: [3-(2-amino-2-oxo-ethyl)-4-oxo-quinazolin-2-yl]methyl-[(4-tert-butylphenyl)methyl]-methyl-ammonium CAS Name: [3-(2-amino-2-oxoethyl)-4-oxo-2-quinazolinyl]methyl-[(4-tert-butylphenyl)methyl]-methylammonium IUPAC Name: [3-(2-amino-2-oxoethyl)-4-oxoquinazolin-2-yl]methyl-[(4-tert-butylphenyl)methyl]-methylazanium Traditional Name: [3-(2-amino-2-keto-ethyl)-4-keto-quinazolin-2-yl]methyl-(4-tert-butylbenzyl)-methyl-ammonium Formula: C23H29N4O2+ MolecularWeight: 393.50196

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C[NH+](C)CC2=NC3=CC=CC=C3C(=O)N2CC(=O)N

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C[NH+](C)CC2=NC3=CC=CC=C3C(=O)N2CC(=O)N

InChI

InChI=1S/C23H28N4O2/c1-23(2,3)17-11-9-16(10-12-17)13-26(4)15-21-25-19-8-6-5-7-18(19)22(29)27(21)14-20(24)28/h5-12H,13-15H2,1-4H3,(H2,24,28)/p+1