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

Systemtic Name: (6-chloranyl-4H-1,3-benzodioxin-8-yl)methyl-ethyl-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]azanium Openeye Name: (6-chloro-4H-1,3-benzodioxin-8-yl)methyl-ethyl-[(4-oxo-1H-quinazolin-2-yl)methyl]ammonium CAS Name: (6-chloro-4H-1,3-benzodioxin-8-yl)methyl-ethyl-[(4-oxo-1H-quinazolin-2-yl)methyl]ammonium IUPAC Name: (6-chloro-4H-1,3-benzodioxin-8-yl)methyl-ethyl-[(4-oxo-1H-quinazolin-2-yl)methyl]azanium Traditional Name: (6-chloro-4H-1,3-benzodioxin-8-yl)methyl-ethyl-[(4-keto-1H-quinazolin-2-yl)methyl]ammonium Formula: C20H21ClN3O3+ MolecularWeight: 386.85204

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC1=C2C(=CC(=C1)Cl)COCO2)CC3=NC(=O)C4=CC=CC=C4N3

Isomeric SMILES

CC[NH+](CC1=C2C(=CC(=C1)Cl)COCO2)CC3=NC(=O)C4=CC=CC=C4N3

InChI

InChI=1S/C20H20ClN3O3/c1-2-24(9-13-7-15(21)8-14-11-26-12-27-19(13)14)10-18-22-17-6-4-3-5-16(17)20(25)23-18/h3-8H,2,9-12H2,1H3,(H,22,23,25)/p+1