(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl-[(6,7-dimethoxy-4-oxidanylidene-1H-quinazolin-2-yl)methyl]-ethyl-azanium

Systemtic Name: (6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl-[(6,7-dimethoxy-4-oxidanylidene-1H-quinazolin-2-yl)methyl]-ethyl-azanium Openeye Name: (6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl-[(6,7-dimethoxy-4-oxo-1H-quinazolin-2-yl)methyl]-ethyl-ammonium CAS Name: (6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl-[(6,7-dimethoxy-4-oxo-1H-quinazolin-2-yl)methyl]-ethylammonium IUPAC Name: (6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl-[(6,7-dimethoxy-4-oxo-1H-quinazolin-2-yl)methyl]-ethylazanium Traditional Name: (6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl-ethyl-[(4-keto-6,7-dimethoxy-1H-quinazolin-2-yl)methyl]ammonium Formula: C23H27ClN3O5+ MolecularWeight: 460.93058

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC1=CC2=C(C(=C1)Cl)OCCCO2)CC3=NC(=O)C4=CC(=C(C=C4N3)OC)OC

Isomeric SMILES

CC[NH+](CC1=CC2=C(C(=C1)Cl)OCCCO2)CC3=NC(=O)C4=CC(=C(C=C4N3)OC)OC

InChI

InChI=1S/C23H26ClN3O5/c1-4-27(12-14-8-16(24)22-20(9-14)31-6-5-7-32-22)13-21-25-17-11-19(30-3)18(29-2)10-15(17)23(28)26-21/h8-11H,4-7,12-13H2,1-3H3,(H,25,26,28)/p+1