(3S)-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide

Systemtic Name: (3S)-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide Openeye Name: (3S)-N-(1-benzylpiperidin-1-ium-4-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide CAS Name: (3S)-N-[1-(phenylmethyl)-4-piperidin-1-iumyl]-2,3-dihydro-1,4-benzodioxin-3-carboxamide IUPAC Name: (3S)-N-(1-benzylpiperidin-1-ium-4-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide Traditional Name: (3S)-N-(1-benzylpiperidin-1-ium-4-yl)-2,3-dihydro-1,4-benzodioxin-3-carboxamide Formula: C21H25N2O3+ MolecularWeight: 353.4348

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1NC(=O)C2COC3=CC=CC=C3O2)CC4=CC=CC=C4

Isomeric SMILES

C1C[NH+](CCC1NC(=O)[C@@H]2COC3=CC=CC=C3O2)CC4=CC=CC=C4

InChI

InChI=1S/C21H24N2O3/c24-21(20-15-25-18-8-4-5-9-19(18)26-20)22-17-10-12-23(13-11-17)14-16-6-2-1-3-7-16/h1-9,17,20H,10-15H2,(H,22,24)/p+1/t20-/m0/s1