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

Systemtic Name: ethyl 1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-(2-phenoxyethyl)piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-(2-phenoxyethyl)piperidin-1-ium-4-carboxylate CAS Name: 1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-(2-phenoxyethyl)-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-(2-phenoxyethyl)piperidin-1-ium-4-carboxylate Traditional Name: 1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-(2-phenoxyethyl)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)CCOC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1(CC[NH+](CC1)CC2=CC3=C(C=C2)OCCO3)CCOC4=CC=CC=C4

InChI

InChI=1S/C25H31NO5/c1-2-28-24(27)25(12-15-29-21-6-4-3-5-7-21)10-13-26(14-11-25)19-20-8-9-22-23(18-20)31-17-16-30-22/h3-9,18H,2,10-17,19H2,1H3/p+1