ethyl 1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-[(3-methoxyphenyl)methyl]piperidin-1-ium-4-carboxylate

Systemtic Name: ethyl 1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-[(3-methoxyphenyl)methyl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-[(3-methoxyphenyl)methyl]piperidin-1-ium-4-carboxylate CAS Name: 1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-[(3-methoxyphenyl)methyl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-[(3-methoxyphenyl)methyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-m-anisyl-piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C25H32NO5+ MolecularWeight: 426.52528

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CC[NH+](CC1)CC2=CC3=C(C=C2)OCCO3)CC4=CC(=CC=C4)OC

Isomeric SMILES

CCOC(=O)C1(CC[NH+](CC1)CC2=CC3=C(C=C2)OCCO3)CC4=CC(=CC=C4)OC

InChI

InChI=1S/C25H31NO5/c1-3-29-24(27)25(17-19-5-4-6-21(15-19)28-2)9-11-26(12-10-25)18-20-7-8-22-23(16-20)31-14-13-30-22/h4-8,15-16H,3,9-14,17-18H2,1-2H3/p+1