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

Systemtic Name: cyclopropyl-[2-[(6-ethanoyl-1,3-benzodioxol-5-yl)amino]-2-oxidanylidene-ethyl]-[(4-methoxyphenyl)methyl]azanium Openeye Name: [2-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-oxo-ethyl]-cyclopropyl-[(4-methoxyphenyl)methyl]ammonium CAS Name: [2-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-oxoethyl]-cyclopropyl-[(4-methoxyphenyl)methyl]ammonium IUPAC Name: [2-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-oxoethyl]-cyclopropyl-[(4-methoxyphenyl)methyl]azanium Traditional Name: [2-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-keto-ethyl]-cyclopropyl-p-anisyl-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+](CC3=CC=C(C=C3)OC)C4CC4)OCO2

Isomeric SMILES

CC(=O)C1=CC2=C(C=C1NC(=O)C[NH+](CC3=CC=C(C=C3)OC)C4CC4)OCO2

InChI

InChI=1S/C22H24N2O5/c1-14(25)18-9-20-21(29-13-28-20)10-19(18)23-22(26)12-24(16-5-6-16)11-15-3-7-17(27-2)8-4-15/h3-4,7-10,16H,5-6,11-13H2,1-2H3,(H,23,26)/p+1