[5-(1,3-benzodioxol-5-ylmethylcarbamoyl)-6-oxidanylidene-1H-pyridin-2-yl]methyl-methyl-[(2R)-2-oxidanyl-2-phenyl-ethyl]azanium

Systemtic Name: [5-(1,3-benzodioxol-5-ylmethylcarbamoyl)-6-oxidanylidene-1H-pyridin-2-yl]methyl-methyl-[(2R)-2-oxidanyl-2-phenyl-ethyl]azanium Openeye Name: [5-(1,3-benzodioxol-5-ylmethylcarbamoyl)-6-oxo-1H-pyridin-2-yl]methyl-[(2R)-2-hydroxy-2-phenyl-ethyl]-methyl-ammonium CAS Name: [5-[(1,3-benzodioxol-5-ylmethylamino)-oxomethyl]-6-oxo-1H-pyridin-2-yl]methyl-[(2R)-2-hydroxy-2-phenylethyl]-methylammonium IUPAC Name: [5-(1,3-benzodioxol-5-ylmethylcarbamoyl)-6-oxo-1H-pyridin-2-yl]methyl-[(2R)-2-hydroxy-2-phenylethyl]-methylazanium Traditional Name: [(2R)-2-hydroxy-2-phenyl-ethyl]-[[6-keto-5-(piperonylcarbamoyl)-1H-pyridin-2-yl]methyl]-methyl-ammonium Formula: C24H26N3O5+ MolecularWeight: 436.48034

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=C(C(=O)N1)C(=O)NCC2=CC3=C(C=C2)OCO3)CC(C4=CC=CC=C4)O

Isomeric SMILES

C[NH+](CC1=CC=C(C(=O)N1)C(=O)NCC2=CC3=C(C=C2)OCO3)C[C@@H](C4=CC=CC=C4)O

InChI

InChI=1S/C24H25N3O5/c1-27(14-20(28)17-5-3-2-4-6-17)13-18-8-9-19(24(30)26-18)23(29)25-12-16-7-10-21-22(11-16)32-15-31-21/h2-11,20,28H,12-15H2,1H3,(H,25,29)(H,26,30)/p+1/t20-/m0/s1