[1,1,2,5-tetramethyl-5-[3-(methylamino)pentan-3-yl]-4-phenyl-piperidin-1-ium-4-yl] propanoate

Systemtic Name: [1,1,2,5-tetramethyl-5-[3-(methylamino)pentan-3-yl]-4-phenyl-piperidin-1-ium-4-yl] propanoate Openeye Name: [5-[1-ethyl-1-(methylamino)propyl]-1,1,2,5-tetramethyl-4-phenyl-piperidin-1-ium-4-yl] propanoate CAS Name: propanoic acid [1,1,2,5-tetramethyl-5-[3-(methylamino)pentan-3-yl]-4-phenyl-4-piperidin-1-iumyl] ester IUPAC Name: [1,1,2,5-tetramethyl-5-[3-(methylamino)pentan-3-yl]-4-phenylpiperidin-1-ium-4-yl] propanoate Traditional Name: propionic acid [5-[1-ethyl-1-(methylamino)propyl]-1,1,2,5-tetramethyl-4-phenyl-piperidin-1-ium-4-yl] ester Formula: C24H41N2O2+ MolecularWeight: 389.59454

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)OC1(CC([N+](CC1(C)C(CC)(CC)NC)(C)C)C)C2=CC=CC=C2

Isomeric SMILES

CCC(=O)OC1(CC([N+](CC1(C)C(CC)(CC)NC)(C)C)C)C2=CC=CC=C2

InChI

InChI=1S/C24H41N2O2/c1-9-21(27)28-24(20-15-13-12-14-16-20)17-19(4)26(7,8)18-22(24,5)23(10-2,11-3)25-6/h12-16,19,25H,9-11,17-18H2,1-8H3/q+1