[(2R)-1-(1,3-benzodioxol-5-ylamino)-1-oxidanylidene-propan-2-yl]-methyl-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]azanium

Systemtic Name: [(2R)-1-(1,3-benzodioxol-5-ylamino)-1-oxidanylidene-propan-2-yl]-methyl-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]azanium Openeye Name: [(1R)-2-(1,3-benzodioxol-5-ylamino)-1-methyl-2-oxo-ethyl]-methyl-[(4-oxo-1H-quinazolin-2-yl)methyl]ammonium CAS Name: [(2R)-1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl]-methyl-[(4-oxo-1H-quinazolin-2-yl)methyl]ammonium IUPAC Name: [(2R)-1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl]-methyl-[(4-oxo-1H-quinazolin-2-yl)methyl]azanium Traditional Name: [(1R)-2-(1,3-benzodioxol-5-ylamino)-2-keto-1-methyl-ethyl]-[(4-keto-1H-quinazolin-2-yl)methyl]-methyl-ammonium Formula: C20H21N4O4+ MolecularWeight: 381.40514

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC2=C(C=C1)OCO2)[NH+](C)CC3=NC(=O)C4=CC=CC=C4N3

Isomeric SMILES

C[C@H](C(=O)NC1=CC2=C(C=C1)OCO2)[NH+](C)CC3=NC(=O)C4=CC=CC=C4N3

InChI

InChI=1S/C20H20N4O4/c1-12(19(25)21-13-7-8-16-17(9-13)28-11-27-16)24(2)10-18-22-15-6-4-3-5-14(15)20(26)23-18/h3-9,12H,10-11H2,1-2H3,(H,21,25)(H,22,23,26)/p+1/t12-/m1/s1