(7-chloranyl-4-oxidanylidene-1H-quinazolin-2-yl)methyl-[(1S)-1-(4-ethylphenyl)-2-methyl-propyl]azanium

Systemtic Name: (7-chloranyl-4-oxidanylidene-1H-quinazolin-2-yl)methyl-[(1S)-1-(4-ethylphenyl)-2-methyl-propyl]azanium Openeye Name: (7-chloro-4-oxo-1H-quinazolin-2-yl)methyl-[(1S)-1-(4-ethylphenyl)-2-methyl-propyl]ammonium CAS Name: (7-chloro-4-oxo-1H-quinazolin-2-yl)methyl-[(1S)-1-(4-ethylphenyl)-2-methylpropyl]ammonium IUPAC Name: (7-chloro-4-oxo-1H-quinazolin-2-yl)methyl-[(1S)-1-(4-ethylphenyl)-2-methylpropyl]azanium Traditional Name: (7-chloro-4-keto-1H-quinazolin-2-yl)methyl-[(1S)-1-(4-ethylphenyl)-2-methyl-propyl]ammonium Formula: C21H25ClN3O+ MolecularWeight: 370.8957

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(C(C)C)[NH2+]CC2=NC(=O)C3=C(N2)C=C(C=C3)Cl

Isomeric SMILES

CCC1=CC=C(C=C1)[C@H](C(C)C)[NH2+]CC2=NC(=O)C3=C(N2)C=C(C=C3)Cl

InChI

InChI=1S/C21H24ClN3O/c1-4-14-5-7-15(8-6-14)20(13(2)3)23-12-19-24-18-11-16(22)9-10-17(18)21(26)25-19/h5-11,13,20,23H,4,12H2,1-3H3,(H,24,25,26)/p+1/t20-/m0/s1