N-[(1R)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-propyl]-2-piperidin-1-ium-1-yl-ethanamide

Systemtic Name: N-[(1R)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-propyl]-2-piperidin-1-ium-1-yl-ethanamide Openeye Name: N-[(1R)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-propyl]-2-piperidin-1-ium-1-yl-acetamide CAS Name: N-[(1R)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methylpropyl]-2-(1-piperidin-1-iumyl)acetamide IUPAC Name: N-[(1R)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methylpropyl]-2-piperidin-1-ium-1-ylacetamide Traditional Name: N-[(1R)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-propyl]-2-piperidin-1-ium-1-yl-acetamide Formula: C20H31N2O3+ MolecularWeight: 347.47174

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C1=CC2=C(C=C1)OCCCO2)NC(=O)C[NH+]3CCCCC3

Isomeric SMILES

CC(C)[C@H](C1=CC2=C(C=C1)OCCCO2)NC(=O)C[NH+]3CCCCC3

InChI

InChI=1S/C20H30N2O3/c1-15(2)20(21-19(23)14-22-9-4-3-5-10-22)16-7-8-17-18(13-16)25-12-6-11-24-17/h7-8,13,15,20H,3-6,9-12,14H2,1-2H3,(H,21,23)/p+1/t20-/m1/s1