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

Systemtic Name: [2-[(3,4-dimethoxyphenyl)methylamino]-2-oxidanylidene-ethyl]-ethyl-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]azanium Openeye Name: [2-[(3,4-dimethoxyphenyl)methylamino]-2-oxo-ethyl]-ethyl-[(4-oxo-1H-quinazolin-2-yl)methyl]ammonium CAS Name: [2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl]-ethyl-[(4-oxo-1H-quinazolin-2-yl)methyl]ammonium IUPAC Name: [2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl]-ethyl-[(4-oxo-1H-quinazolin-2-yl)methyl]azanium Traditional Name: ethyl-[(4-keto-1H-quinazolin-2-yl)methyl]-[2-keto-2-(veratrylamino)ethyl]ammonium Formula: C22H27N4O4+ MolecularWeight: 411.47418

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N4O4/c1-4-26(13-20-24-17-8-6-5-7-16(17)22(28)25-20)14-21(27)23-12-15-9-10-18(29-2)19(11-15)30-3/h5-11H,4,12-14H2,1-3H3,(H,23,27)(H,24,25,28)/p+1