1,3-benzodioxol-5-ylmethyl-methyl-[2-oxidanylidene-2-[(4-propan-2-yloxycarbonylphenyl)amino]ethyl]azanium

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-methyl-[2-oxidanylidene-2-[(4-propan-2-yloxycarbonylphenyl)amino]ethyl]azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-[2-(4-isopropoxycarbonylanilino)-2-oxo-ethyl]-methyl-ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-methyl-[2-oxo-2-[4-[oxo(propan-2-yloxy)methyl]anilino]ethyl]ammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-methyl-[2-oxo-2-(4-propan-2-yloxycarbonylanilino)ethyl]azanium Traditional Name: [2-(4-isopropoxycarbonylanilino)-2-keto-ethyl]-methyl-piperonyl-ammonium Formula: C21H25N2O5+ MolecularWeight: 385.4336

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C1=CC=C(C=C1)NC(=O)C[NH+](C)CC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC(C)OC(=O)C1=CC=C(C=C1)NC(=O)C[NH+](C)CC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C21H24N2O5/c1-14(2)28-21(25)16-5-7-17(8-6-16)22-20(24)12-23(3)11-15-4-9-18-19(10-15)27-13-26-18/h4-10,14H,11-13H2,1-3H3,(H,22,24)/p+1