(2-aminocarbonyl-4-chloranyl-phenyl)-(1,3-benzodioxol-5-ylmethyl)-methyl-(5-oxidanyl-5-oxidanylidene-pentanoyl)azanium

Systemtic Name: (2-aminocarbonyl-4-chloranyl-phenyl)-(1,3-benzodioxol-5-ylmethyl)-methyl-(5-oxidanyl-5-oxidanylidene-pentanoyl)azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-(2-carbamoyl-4-chloro-phenyl)-(5-hydroxy-5-oxo-pentanoyl)-methyl-ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-(2-carbamoyl-4-chlorophenyl)-(5-hydroxy-1,5-dioxopentyl)-methylammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-(2-carbamoyl-4-chlorophenyl)-(5-hydroxy-5-oxopentanoyl)-methylazanium Traditional Name: (2-carbamoyl-4-chloro-phenyl)-(5-hydroxy-5-keto-pentanoyl)-methyl-piperonyl-ammonium Formula: C21H22ClN2O6+ MolecularWeight: 433.86218

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](CC1=CC2=C(C=C1)OCO2)(C3=C(C=C(C=C3)Cl)C(=O)N)C(=O)CCCC(=O)O

Isomeric SMILES

C[N+](CC1=CC2=C(C=C1)OCO2)(C3=C(C=C(C=C3)Cl)C(=O)N)C(=O)CCCC(=O)O

InChI

InChI=1S/C21H21ClN2O6/c1-24(19(25)3-2-4-20(26)27,16-7-6-14(22)10-15(16)21(23)28)11-13-5-8-17-18(9-13)30-12-29-17/h5-10H,2-4,11-12H2,1H3,(H2-,23,26,27,28)/p+1