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

Systemtic Name: (6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl-ethyl-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]azanium Openeye Name: (6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl-ethyl-[(4-oxo-1H-quinazolin-2-yl)methyl]ammonium CAS Name: (6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl-ethyl-[(4-oxo-1H-quinazolin-2-yl)methyl]ammonium IUPAC Name: (6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl-ethyl-[(4-oxo-1H-quinazolin-2-yl)methyl]azanium Traditional Name: (6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl-ethyl-[(4-keto-1H-quinazolin-2-yl)methyl]ammonium Formula: C21H23ClN3O3+ MolecularWeight: 400.87862

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22ClN3O3/c1-2-25(13-19-23-17-7-4-3-6-15(17)21(26)24-19)12-14-10-16(22)20-18(11-14)27-8-5-9-28-20/h3-4,6-7,10-11H,2,5,8-9,12-13H2,1H3,(H,23,24,26)/p+1