(2-methoxy-5-methyl-phenyl)methyl-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]-[[(2R)-oxolan-2-yl]methyl]azanium

Systemtic Name: (2-methoxy-5-methyl-phenyl)methyl-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]-[[(2R)-oxolan-2-yl]methyl]azanium Openeye Name: (2-methoxy-5-methyl-phenyl)methyl-[(4-oxo-1H-quinazolin-2-yl)methyl]-[[(2R)-tetrahydrofuran-2-yl]methyl]ammonium CAS Name: (2-methoxy-5-methylphenyl)methyl-[[(2R)-2-oxolanyl]methyl]-[(4-oxo-1H-quinazolin-2-yl)methyl]ammonium IUPAC Name: (2-methoxy-5-methylphenyl)methyl-[[(2R)-oxolan-2-yl]methyl]-[(4-oxo-1H-quinazolin-2-yl)methyl]azanium Traditional Name: (4-keto-1H-quinazolin-2-yl)methyl-(2-methoxy-5-methyl-benzyl)-[[(2R)-tetrahydrofuran-2-yl]methyl]ammonium Formula: C23H28N3O3+ MolecularWeight: 394.48672

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)C[NH+](CC2CCCO2)CC3=NC(=O)C4=CC=CC=C4N3

Isomeric SMILES

CC1=CC(=C(C=C1)OC)C[NH+](C[C@H]2CCCO2)CC3=NC(=O)C4=CC=CC=C4N3

InChI

InChI=1S/C23H27N3O3/c1-16-9-10-21(28-2)17(12-16)13-26(14-18-6-5-11-29-18)15-22-24-20-8-4-3-7-19(20)23(27)25-22/h3-4,7-10,12,18H,5-6,11,13-15H2,1-2H3,(H,24,25,27)/p+1/t18-/m1/s1