[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxidanylidene-ethyl]-methyl-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]azanium

Systemtic Name: [2-[(3,4-dimethoxyphenyl)methylamino]-2-oxidanylidene-ethyl]-methyl-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]azanium Openeye Name: [2-[(3,4-dimethoxyphenyl)methylamino]-2-oxo-ethyl]-methyl-[(4-oxo-1H-quinazolin-2-yl)methyl]ammonium CAS Name: [2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl]-methyl-[(4-oxo-1H-quinazolin-2-yl)methyl]ammonium IUPAC Name: [2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl]-methyl-[(4-oxo-1H-quinazolin-2-yl)methyl]azanium Traditional Name: (4-keto-1H-quinazolin-2-yl)methyl-[2-keto-2-(veratrylamino)ethyl]-methyl-ammonium Formula: C21H25N4O4+ MolecularWeight: 397.4476

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=NC(=O)C2=CC=CC=C2N1)CC(=O)NCC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

C[NH+](CC1=NC(=O)C2=CC=CC=C2N1)CC(=O)NCC3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C21H24N4O4/c1-25(12-19-23-16-7-5-4-6-15(16)21(27)24-19)13-20(26)22-11-14-8-9-17(28-2)18(10-14)29-3/h4-10H,11-13H2,1-3H3,(H,22,26)(H,23,24,27)/p+1