ethyl 1-[(6-chloranyl-1,3-benzodioxol-5-yl)methyl]-4-(phenylmethyl)piperidin-1-ium-4-carboxylate

Systemtic Name: ethyl 1-[(6-chloranyl-1,3-benzodioxol-5-yl)methyl]-4-(phenylmethyl)piperidin-1-ium-4-carboxylate Openeye Name: ethyl 4-benzyl-1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-4-(phenylmethyl)-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-benzyl-1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]piperidin-1-ium-4-carboxylate Traditional Name: 4-benzyl-1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C23H27ClNO4+ MolecularWeight: 416.91778

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CC[NH+](CC1)CC2=CC3=C(C=C2Cl)OCO3)CC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1(CC[NH+](CC1)CC2=CC3=C(C=C2Cl)OCO3)CC4=CC=CC=C4

InChI

InChI=1S/C23H26ClNO4/c1-2-27-22(26)23(14-17-6-4-3-5-7-17)8-10-25(11-9-23)15-18-12-20-21(13-19(18)24)29-16-28-20/h3-7,12-13H,2,8-11,14-16H2,1H3/p+1