(7-chloranyl-1,3-benzodioxol-5-yl)methyl-methyl-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]azanium

Systemtic Name: (7-chloranyl-1,3-benzodioxol-5-yl)methyl-methyl-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]azanium Openeye Name: (7-chloro-1,3-benzodioxol-5-yl)methyl-methyl-[(4-oxo-1H-quinazolin-2-yl)methyl]ammonium CAS Name: (7-chloro-1,3-benzodioxol-5-yl)methyl-methyl-[(4-oxo-1H-quinazolin-2-yl)methyl]ammonium IUPAC Name: (7-chloro-1,3-benzodioxol-5-yl)methyl-methyl-[(4-oxo-1H-quinazolin-2-yl)methyl]azanium Traditional Name: (7-chloro-1,3-benzodioxol-5-yl)methyl-[(4-keto-1H-quinazolin-2-yl)methyl]-methyl-ammonium Formula: C18H17ClN3O3+ MolecularWeight: 358.79888

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC2=C(C(=C1)Cl)OCO2)CC3=NC(=O)C4=CC=CC=C4N3

Isomeric SMILES

C[NH+](CC1=CC2=C(C(=C1)Cl)OCO2)CC3=NC(=O)C4=CC=CC=C4N3

InChI

InChI=1S/C18H16ClN3O3/c1-22(8-11-6-13(19)17-15(7-11)24-10-25-17)9-16-20-14-5-3-2-4-12(14)18(23)21-16/h2-7H,8-10H2,1H3,(H,20,21,23)/p+1