1-[(2R)-1-(1,3-benzodioxol-5-ylamino)-1-oxidanylidene-propan-2-yl]pyridin-1-ium-3-carboxamide

Systemtic Name: 1-[(2R)-1-(1,3-benzodioxol-5-ylamino)-1-oxidanylidene-propan-2-yl]pyridin-1-ium-3-carboxamide Openeye Name: 1-[(1R)-2-(1,3-benzodioxol-5-ylamino)-1-methyl-2-oxo-ethyl]pyridin-1-ium-3-carboxamide CAS Name: 1-[(2R)-1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl]-3-pyridin-1-iumcarboxamide IUPAC Name: 1-[(2R)-1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl]pyridin-1-ium-3-carboxamide Traditional Name: 1-[(1R)-2-(1,3-benzodioxol-5-ylamino)-2-keto-1-methyl-ethyl]pyridin-1-ium-3-carboxamide Formula: C16H16N3O4+ MolecularWeight: 314.31594

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC2=C(C=C1)OCO2)[N+]3=CC=CC(=C3)C(=O)N

Isomeric SMILES

C[C@H](C(=O)NC1=CC2=C(C=C1)OCO2)[N+]3=CC=CC(=C3)C(=O)N

InChI

InChI=1S/C16H15N3O4/c1-10(19-6-2-3-11(8-19)15(17)20)16(21)18-12-4-5-13-14(7-12)23-9-22-13/h2-8,10H,9H2,1H3,(H2-,17,18,20,21)/p+1/t10-/m1/s1