[3-acetyloxy-2-ethyl-3-[4-[1-[(4-methylphenyl)amino]piperidin-1-ium-1-yl]cyclohexyl]pentyl] ethanoate

Systemtic Name: [3-acetyloxy-2-ethyl-3-[4-[1-[(4-methylphenyl)amino]piperidin-1-ium-1-yl]cyclohexyl]pentyl] ethanoate Openeye Name: [3-acetoxy-2-ethyl-3-[4-[1-(4-methylanilino)piperidin-1-ium-1-yl]cyclohexyl]pentyl] acetate CAS Name: acetic acid [3-acetyloxy-2-ethyl-3-[4-[1-(4-methylanilino)-1-piperidin-1-iumyl]cyclohexyl]pentyl] ester IUPAC Name: [3-acetyloxy-2-ethyl-3-[4-[1-(4-methylanilino)piperidin-1-ium-1-yl]cyclohexyl]pentyl] acetate Traditional Name: acetic acid [3-acetoxy-2-ethyl-3-[4-[1-(p-toluidino)piperidin-1-ium-1-yl]cyclohexyl]pentyl] ester Formula: C29H47N2O4+ MolecularWeight: 487.69448

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(COC(=O)C)C(CC)(C1CCC(CC1)[N+]2(CCCCC2)NC3=CC=C(C=C3)C)OC(=O)C

Isomeric SMILES

CCC(COC(=O)C)C(CC)(C1CCC(CC1)[N+]2(CCCCC2)NC3=CC=C(C=C3)C)OC(=O)C

InChI

InChI=1S/C29H47N2O4/c1-6-25(21-34-23(4)32)29(7-2,35-24(5)33)26-13-17-28(18-14-26)31(19-9-8-10-20-31)30-27-15-11-22(3)12-16-27/h11-12,15-16,25-26,28,30H,6-10,13-14,17-21H2,1-5H3/q+1