ethyl 1-(1,3-benzodioxol-4-ylmethyl)-4-phenethyl-piperidin-1-ium-4-carboxylate

Systemtic Name: ethyl 1-(1,3-benzodioxol-4-ylmethyl)-4-phenethyl-piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-(1,3-benzodioxol-4-ylmethyl)-4-phenethyl-piperidin-1-ium-4-carboxylate CAS Name: 1-(1,3-benzodioxol-4-ylmethyl)-4-phenethyl-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-(1,3-benzodioxol-4-ylmethyl)-4-phenethylpiperidin-1-ium-4-carboxylate Traditional Name: 1-(1,3-benzodioxol-4-ylmethyl)-4-phenethyl-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=C3C(=CC=C2)OCO3)CCC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1(CC[NH+](CC1)CC2=C3C(=CC=C2)OCO3)CCC4=CC=CC=C4

InChI

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