[3-(2-azanyl-2-oxidanylidene-ethyl)-4-oxidanylidene-quinazolin-2-yl]methyl-[(1S)-1-(4-butylphenyl)-2-methyl-propyl]azanium

Systemtic Name: [3-(2-azanyl-2-oxidanylidene-ethyl)-4-oxidanylidene-quinazolin-2-yl]methyl-[(1S)-1-(4-butylphenyl)-2-methyl-propyl]azanium Openeye Name: [3-(2-amino-2-oxo-ethyl)-4-oxo-quinazolin-2-yl]methyl-[(1S)-1-(4-butylphenyl)-2-methyl-propyl]ammonium CAS Name: [3-(2-amino-2-oxoethyl)-4-oxo-2-quinazolinyl]methyl-[(1S)-1-(4-butylphenyl)-2-methylpropyl]ammonium IUPAC Name: [3-(2-amino-2-oxoethyl)-4-oxoquinazolin-2-yl]methyl-[(1S)-1-(4-butylphenyl)-2-methylpropyl]azanium Traditional Name: [3-(2-amino-2-keto-ethyl)-4-keto-quinazolin-2-yl]methyl-[(1S)-1-(4-butylphenyl)-2-methyl-propyl]ammonium Formula: C25H33N4O2+ MolecularWeight: 421.55512

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C(C(C)C)[NH2+]CC2=NC3=CC=CC=C3C(=O)N2CC(=O)N

Isomeric SMILES

CCCCC1=CC=C(C=C1)[C@H](C(C)C)[NH2+]CC2=NC3=CC=CC=C3C(=O)N2CC(=O)N

InChI

InChI=1S/C25H32N4O2/c1-4-5-8-18-11-13-19(14-12-18)24(17(2)3)27-15-23-28-21-10-7-6-9-20(21)25(31)29(23)16-22(26)30/h6-7,9-14,17,24,27H,4-5,8,15-16H2,1-3H3,(H2,26,30)/p+1/t24-/m0/s1