ethyl (3R)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-piperidin-1-ium-4-yl-propanoate

Systemtic Name: ethyl (3R)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-piperidin-1-ium-4-yl-propanoate Openeye Name: ethyl (3R)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-piperidin-1-ium-4-yl-propanoate CAS Name: (3R)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-piperidin-1-iumyl)propanoic acid ethyl ester IUPAC Name: ethyl (3R)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-piperidin-1-ium-4-ylpropanoate Traditional Name: (3R)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-piperidin-1-ium-4-yl-propionic acid ethyl ester Formula: C18H26NO4+ MolecularWeight: 320.40334

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(C1CC[NH2+]CC1)C2=CC3=C(C=C2)OCCO3

Isomeric SMILES

CCOC(=O)C[C@H](C1CC[NH2+]CC1)C2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C18H25NO4/c1-2-21-18(20)12-15(13-5-7-19-8-6-13)14-3-4-16-17(11-14)23-10-9-22-16/h3-4,11,13,15,19H,2,5-10,12H2,1H3/p+1/t15-/m1/s1