[2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl]-[(2-chlorophenyl)methyl]-methyl-azanium

Systemtic Name: [2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl]-[(2-chlorophenyl)methyl]-methyl-azanium Openeye Name: [2-(1,3-benzodioxol-5-ylamino)-2-oxo-ethyl]-[(2-chlorophenyl)methyl]-methyl-ammonium CAS Name: [2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]-[(2-chlorophenyl)methyl]-methylammonium IUPAC Name: [2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]-[(2-chlorophenyl)methyl]-methylazanium Traditional Name: [2-(1,3-benzodioxol-5-ylamino)-2-keto-ethyl]-(2-chlorobenzyl)-methyl-ammonium Formula: C17H18ClN2O3+ MolecularWeight: 333.78942

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=CC=C1Cl)CC(=O)NC2=CC3=C(C=C2)OCO3

Isomeric SMILES

C[NH+](CC1=CC=CC=C1Cl)CC(=O)NC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C17H17ClN2O3/c1-20(9-12-4-2-3-5-14(12)18)10-17(21)19-13-6-7-15-16(8-13)23-11-22-15/h2-8H,9-11H2,1H3,(H,19,21)/p+1