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

Systemtic Name: (7-chloranyl-4-oxidanylidene-1H-quinazolin-2-yl)methyl-[(1S)-2-methyl-1-[4-(2-methylpropyl)phenyl]propyl]azanium Openeye Name: (7-chloro-4-oxo-1H-quinazolin-2-yl)methyl-[(1S)-1-(4-isobutylphenyl)-2-methyl-propyl]ammonium CAS Name: (7-chloro-4-oxo-1H-quinazolin-2-yl)methyl-[(1S)-2-methyl-1-[4-(2-methylpropyl)phenyl]propyl]ammonium IUPAC Name: (7-chloro-4-oxo-1H-quinazolin-2-yl)methyl-[(1S)-2-methyl-1-[4-(2-methylpropyl)phenyl]propyl]azanium Traditional Name: (7-chloro-4-keto-1H-quinazolin-2-yl)methyl-[(1S)-1-(4-isobutylphenyl)-2-methyl-propyl]ammonium Formula: C23H29ClN3O+ MolecularWeight: 398.94886

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=CC=C(C=C1)C(C(C)C)[NH2+]CC2=NC(=O)C3=C(N2)C=C(C=C3)Cl

Isomeric SMILES

CC(C)CC1=CC=C(C=C1)[C@H](C(C)C)[NH2+]CC2=NC(=O)C3=C(N2)C=C(C=C3)Cl

InChI

InChI=1S/C23H28ClN3O/c1-14(2)11-16-5-7-17(8-6-16)22(15(3)4)25-13-21-26-20-12-18(24)9-10-19(20)23(28)27-21/h5-10,12,14-15,22,25H,11,13H2,1-4H3,(H,26,27,28)/p+1/t22-/m0/s1