N-ethyl-N-[[(3R)-1-[2-(3-methoxyphenyl)ethyl]piperidin-1-ium-3-yl]methyl]pent-4-enamide

Systemtic Name: N-ethyl-N-[[(3R)-1-[2-(3-methoxyphenyl)ethyl]piperidin-1-ium-3-yl]methyl]pent-4-enamide Openeye Name: N-ethyl-N-[[(3R)-1-[2-(3-methoxyphenyl)ethyl]piperidin-1-ium-3-yl]methyl]pent-4-enamide CAS Name: N-ethyl-N-[[(3R)-1-[2-(3-methoxyphenyl)ethyl]-3-piperidin-1-iumyl]methyl]-4-pentenamide IUPAC Name: N-ethyl-N-[[(3R)-1-[2-(3-methoxyphenyl)ethyl]piperidin-1-ium-3-yl]methyl]pent-4-enamide Traditional Name: N-ethyl-N-[[(3R)-1-[2-(3-methoxyphenyl)ethyl]piperidin-1-ium-3-yl]methyl]pent-4-enamide Formula: C22H35N2O2+ MolecularWeight: 359.5255

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1CCC[NH+](C1)CCC2=CC(=CC=C2)OC)C(=O)CCC=C

Isomeric SMILES

CCN(C[C@H]1CCC[NH+](C1)CCC2=CC(=CC=C2)OC)C(=O)CCC=C

InChI

InChI=1S/C22H34N2O2/c1-4-6-12-22(25)24(5-2)18-20-10-8-14-23(17-20)15-13-19-9-7-11-21(16-19)26-3/h4,7,9,11,16,20H,1,5-6,8,10,12-15,17-18H2,2-3H3/p+1/t20-/m0/s1