(6,7-dimethoxy-4-oxidanylidene-1H-quinazolin-2-yl)methyl-[(1S)-1-(4-ethylphenyl)-2-methyl-propyl]azanium

Systemtic Name: (6,7-dimethoxy-4-oxidanylidene-1H-quinazolin-2-yl)methyl-[(1S)-1-(4-ethylphenyl)-2-methyl-propyl]azanium Openeye Name: (6,7-dimethoxy-4-oxo-1H-quinazolin-2-yl)methyl-[(1S)-1-(4-ethylphenyl)-2-methyl-propyl]ammonium CAS Name: (6,7-dimethoxy-4-oxo-1H-quinazolin-2-yl)methyl-[(1S)-1-(4-ethylphenyl)-2-methylpropyl]ammonium IUPAC Name: (6,7-dimethoxy-4-oxo-1H-quinazolin-2-yl)methyl-[(1S)-1-(4-ethylphenyl)-2-methylpropyl]azanium Traditional Name: [(1S)-1-(4-ethylphenyl)-2-methyl-propyl]-[(4-keto-6,7-dimethoxy-1H-quinazolin-2-yl)methyl]ammonium Formula: C23H30N3O3+ MolecularWeight: 396.5026

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(C(C)C)[NH2+]CC2=NC(=O)C3=CC(=C(C=C3N2)OC)OC

Isomeric SMILES

CCC1=CC=C(C=C1)[C@H](C(C)C)[NH2+]CC2=NC(=O)C3=CC(=C(C=C3N2)OC)OC

InChI

InChI=1S/C23H29N3O3/c1-6-15-7-9-16(10-8-15)22(14(2)3)24-13-21-25-18-12-20(29-5)19(28-4)11-17(18)23(27)26-21/h7-12,14,22,24H,6,13H2,1-5H3,(H,25,26,27)/p+1/t22-/m0/s1