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

Systemtic Name: [2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl]-methyl-(2-phenoxyethyl)azanium Openeye Name: [2-(1,3-benzodioxol-5-ylamino)-2-oxo-ethyl]-methyl-(2-phenoxyethyl)ammonium CAS Name: [2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]-methyl-(2-phenoxyethyl)ammonium IUPAC Name: [2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]-methyl-(2-phenoxyethyl)azanium Traditional Name: [2-(1,3-benzodioxol-5-ylamino)-2-keto-ethyl]-methyl-(2-phenoxyethyl)ammonium Formula: C18H21N2O4+ MolecularWeight: 329.37034

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCOC1=CC=CC=C1)CC(=O)NC2=CC3=C(C=C2)OCO3

Isomeric SMILES

C[NH+](CCOC1=CC=CC=C1)CC(=O)NC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C18H20N2O4/c1-20(9-10-22-15-5-3-2-4-6-15)12-18(21)19-14-7-8-16-17(11-14)24-13-23-16/h2-8,11H,9-10,12-13H2,1H3,(H,19,21)/p+1