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

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

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC2=C(C=C1)OCO2)CC3=NC(=O)C4=C(N3)C=C(C=C4)Cl

Isomeric SMILES

C[NH+](CC1=CC2=C(C=C1)OCO2)CC3=NC(=O)C4=C(N3)C=C(C=C4)Cl

InChI

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