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

Systemtic Name: 1-[(2R)-1-(1,3-benzodioxol-5-ylmethylamino)-1-oxidanylidene-propan-2-yl]pyridin-1-ium-3-carboxamide Openeye Name: 1-[(1R)-2-(1,3-benzodioxol-5-ylmethylamino)-1-methyl-2-oxo-ethyl]pyridin-1-ium-3-carboxamide CAS Name: 1-[(2R)-1-(1,3-benzodioxol-5-ylmethylamino)-1-oxopropan-2-yl]-3-pyridin-1-iumcarboxamide IUPAC Name: 1-[(2R)-1-(1,3-benzodioxol-5-ylmethylamino)-1-oxopropan-2-yl]pyridin-1-ium-3-carboxamide Traditional Name: 1-[(1R)-2-keto-1-methyl-2-(piperonylamino)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)NCC1=CC2=C(C=C1)OCO2)[N+]3=CC=CC(=C3)C(=O)N

Isomeric SMILES

C[C@H](C(=O)NCC1=CC2=C(C=C1)OCO2)[N+]3=CC=CC(=C3)C(=O)N

InChI

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