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

Systemtic Name: (7-chloranyl-4-oxidanylidene-1H-quinazolin-2-yl)methyl-[(1S)-2-methyl-1-(4-propylphenyl)propyl]azanium Openeye Name: (7-chloro-4-oxo-1H-quinazolin-2-yl)methyl-[(1S)-2-methyl-1-(4-propylphenyl)propyl]ammonium CAS Name: (7-chloro-4-oxo-1H-quinazolin-2-yl)methyl-[(1S)-2-methyl-1-(4-propylphenyl)propyl]ammonium IUPAC Name: (7-chloro-4-oxo-1H-quinazolin-2-yl)methyl-[(1S)-2-methyl-1-(4-propylphenyl)propyl]azanium Traditional Name: (7-chloro-4-keto-1H-quinazolin-2-yl)methyl-[(1S)-2-methyl-1-(4-propylphenyl)propyl]ammonium Formula: C22H27ClN3O+ MolecularWeight: 384.92228

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)C(C(C)C)[NH2+]CC2=NC(=O)C3=C(N2)C=C(C=C3)Cl

Isomeric SMILES

CCCC1=CC=C(C=C1)[C@H](C(C)C)[NH2+]CC2=NC(=O)C3=C(N2)C=C(C=C3)Cl

InChI

InChI=1S/C22H26ClN3O/c1-4-5-15-6-8-16(9-7-15)21(14(2)3)24-13-20-25-19-12-17(23)10-11-18(19)22(27)26-20/h6-12,14,21,24H,4-5,13H2,1-3H3,(H,25,26,27)/p+1/t21-/m0/s1