[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-[(7-methoxycarbonyl-4-oxidanylidene-1H-quinazolin-2-yl)methyl]-methyl-azanium

Systemtic Name: [(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-[(7-methoxycarbonyl-4-oxidanylidene-1H-quinazolin-2-yl)methyl]-methyl-azanium Openeye Name: [(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-[(7-methoxycarbonyl-4-oxo-1H-quinazolin-2-yl)methyl]-methyl-ammonium CAS Name: [(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-[(7-methoxycarbonyl-4-oxo-1H-quinazolin-2-yl)methyl]-methylammonium IUPAC Name: [(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-[(7-methoxycarbonyl-4-oxo-1H-quinazolin-2-yl)methyl]-methylazanium Traditional Name: (7-carbomethoxy-4-keto-1H-quinazolin-2-yl)methyl-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-methyl-ammonium Formula: C21H22N3O5+ MolecularWeight: 396.41648

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1COC2=CC=CC=C2O1)CC3=NC(=O)C4=C(N3)C=C(C=C4)C(=O)OC

Isomeric SMILES

C[NH+](C[C@H]1COC2=CC=CC=C2O1)CC3=NC(=O)C4=C(N3)C=C(C=C4)C(=O)OC

InChI

InChI=1S/C21H21N3O5/c1-24(10-14-12-28-17-5-3-4-6-18(17)29-14)11-19-22-16-9-13(21(26)27-2)7-8-15(16)20(25)23-19/h3-9,14H,10-12H2,1-2H3,(H,22,23,25)/p+1/t14-/m0/s1