ethyl 1-(1,3-benzodioxol-4-ylmethyl)-4-[(3-methoxyphenyl)methyl]piperidin-1-ium-4-carboxylate

Systemtic Name: ethyl 1-(1,3-benzodioxol-4-ylmethyl)-4-[(3-methoxyphenyl)methyl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-(1,3-benzodioxol-4-ylmethyl)-4-[(3-methoxyphenyl)methyl]piperidin-1-ium-4-carboxylate CAS Name: 1-(1,3-benzodioxol-4-ylmethyl)-4-[(3-methoxyphenyl)methyl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-(1,3-benzodioxol-4-ylmethyl)-4-[(3-methoxyphenyl)methyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-(1,3-benzodioxol-4-ylmethyl)-4-m-anisyl-piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C24H30NO5+ MolecularWeight: 412.4987

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CC[NH+](CC1)CC2=C3C(=CC=C2)OCO3)CC4=CC(=CC=C4)OC

Isomeric SMILES

CCOC(=O)C1(CC[NH+](CC1)CC2=C3C(=CC=C2)OCO3)CC4=CC(=CC=C4)OC

InChI

InChI=1S/C24H29NO5/c1-3-28-23(26)24(15-18-6-4-8-20(14-18)27-2)10-12-25(13-11-24)16-19-7-5-9-21-22(19)30-17-29-21/h4-9,14H,3,10-13,15-17H2,1-2H3/p+1