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

Systemtic Name: ethyl 1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-phenethyl-piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-phenethyl-piperidin-1-ium-4-carboxylate CAS Name: 1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-phenethyl-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-phenethylpiperidin-1-ium-4-carboxylate Traditional Name: 1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-phenethyl-piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C25H32NO4+ MolecularWeight: 410.52588

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CC[NH+](CC1)CC2=CC3=C(C=C2)OCCO3)CCC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1(CC[NH+](CC1)CC2=CC3=C(C=C2)OCCO3)CCC4=CC=CC=C4

InChI

InChI=1S/C25H31NO4/c1-2-28-24(27)25(11-10-20-6-4-3-5-7-20)12-14-26(15-13-25)19-21-8-9-22-23(18-21)30-17-16-29-22/h3-9,18H,2,10-17,19H2,1H3/p+1