ethyl 1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-(phenylmethyl)piperidin-1-ium-4-carboxylate

Systemtic Name: ethyl 1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-(phenylmethyl)piperidin-1-ium-4-carboxylate Openeye Name: ethyl 4-benzyl-1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperidin-1-ium-4-carboxylate CAS Name: 1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-(phenylmethyl)-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-benzyl-1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperidin-1-ium-4-carboxylate Traditional Name: 4-benzyl-1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C24H30NO4+ MolecularWeight: 396.4993

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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

Isomeric SMILES

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

InChI

InChI=1S/C24H29NO4/c1-2-27-23(26)24(17-19-6-4-3-5-7-19)10-12-25(13-11-24)18-20-8-9-21-22(16-20)29-15-14-28-21/h3-9,16H,2,10-15,17-18H2,1H3/p+1