ethyl 1-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-4-(2-phenoxyethyl)piperidin-1-ium-4-carboxylate

Systemtic Name: ethyl 1-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-4-(2-phenoxyethyl)piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-4-(2-phenoxyethyl)piperidin-1-ium-4-carboxylate CAS Name: 1-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-4-(2-phenoxyethyl)-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-4-(2-phenoxyethyl)piperidin-1-ium-4-carboxylate Traditional Name: 1-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-4-(2-phenoxyethyl)piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C25H32NO6+ MolecularWeight: 442.52468

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CC[NH+](CC1)CC2=CC3=C(C(=C2)OC)OCO3)CCOC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1(CC[NH+](CC1)CC2=CC3=C(C(=C2)OC)OCO3)CCOC4=CC=CC=C4

InChI

InChI=1S/C25H31NO6/c1-3-29-24(27)25(11-14-30-20-7-5-4-6-8-20)9-12-26(13-10-25)17-19-15-21(28-2)23-22(16-19)31-18-32-23/h4-8,15-16H,3,9-14,17-18H2,1-2H3/p+1