(3S)-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]piperidin-1-ium-3-carboxamide

Systemtic Name: (3S)-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]piperidin-1-ium-3-carboxamide Openeye Name: (3S)-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]piperidin-1-ium-3-carboxamide CAS Name: (3S)-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]piperidin-1-ium-3-carboxamide Traditional Name: (3S)-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]piperidin-1-ium-3-carboxamide Formula: C16H23N2O3+ MolecularWeight: 291.36542

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH2+]C1)C(=O)NCCC2=CC3=C(C=C2)OCCO3

Isomeric SMILES

C1C[C@@H](C[NH2+]C1)C(=O)NCCC2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C16H22N2O3/c19-16(13-2-1-6-17-11-13)18-7-5-12-3-4-14-15(10-12)21-9-8-20-14/h3-4,10,13,17H,1-2,5-9,11H2,(H,18,19)/p+1/t13-/m0/s1