[2-[(6-ethanoyl-1,3-benzodioxol-5-yl)amino]-2-oxidanylidene-ethyl]-methyl-[(4-prop-2-enoxyphenyl)methyl]azanium

Systemtic Name: [2-[(6-ethanoyl-1,3-benzodioxol-5-yl)amino]-2-oxidanylidene-ethyl]-methyl-[(4-prop-2-enoxyphenyl)methyl]azanium Openeye Name: [2-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-oxo-ethyl]-[(4-allyloxyphenyl)methyl]-methyl-ammonium CAS Name: [2-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-oxoethyl]-methyl-[(4-prop-2-enoxyphenyl)methyl]ammonium IUPAC Name: [2-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-oxoethyl]-methyl-[(4-prop-2-enoxyphenyl)methyl]azanium Traditional Name: [2-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-keto-ethyl]-(4-allyloxybenzyl)-methyl-ammonium Formula: C22H25N2O5+ MolecularWeight: 397.4443

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC2=C(C=C1NC(=O)C[NH+](C)CC3=CC=C(C=C3)OCC=C)OCO2

Isomeric SMILES

CC(=O)C1=CC2=C(C=C1NC(=O)C[NH+](C)CC3=CC=C(C=C3)OCC=C)OCO2

InChI

InChI=1S/C22H24N2O5/c1-4-9-27-17-7-5-16(6-8-17)12-24(3)13-22(26)23-19-11-21-20(28-14-29-21)10-18(19)15(2)25/h4-8,10-11H,1,9,12-14H2,2-3H3,(H,23,26)/p+1