1-[(2R)-1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-oxidanylidene-propan-2-yl]pyridin-1-ium-3-carboxamide

Systemtic Name: 1-[(2R)-1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-oxidanylidene-propan-2-yl]pyridin-1-ium-3-carboxamide Openeye Name: 1-[(1R)-2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-methyl-2-oxo-ethyl]pyridin-1-ium-3-carboxamide CAS Name: 1-[(2R)-1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-oxopropan-2-yl]-3-pyridin-1-iumcarboxamide IUPAC Name: 1-[(2R)-1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-oxopropan-2-yl]pyridin-1-ium-3-carboxamide Traditional Name: 1-[(1R)-2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-keto-1-methyl-ethyl]pyridin-1-ium-3-carboxamide Formula: C17H18N3O4+ MolecularWeight: 328.34252

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC2=C(C=C1)OCCO2)[N+]3=CC=CC(=C3)C(=O)N

Isomeric SMILES

C[C@H](C(=O)NC1=CC2=C(C=C1)OCCO2)[N+]3=CC=CC(=C3)C(=O)N

InChI

InChI=1S/C17H17N3O4/c1-11(20-6-2-3-12(10-20)16(18)21)17(22)19-13-4-5-14-15(9-13)24-8-7-23-14/h2-6,9-11H,7-8H2,1H3,(H2-,18,19,21,22)/p+1/t11-/m1/s1