methyl 5-[[(3R)-1-[2-(4-methoxyphenyl)ethyl]piperidin-1-ium-3-yl]methyl-methyl-amino]-5-oxidanylidene-pentanoate

Systemtic Name: methyl 5-[[(3R)-1-[2-(4-methoxyphenyl)ethyl]piperidin-1-ium-3-yl]methyl-methyl-amino]-5-oxidanylidene-pentanoate Openeye Name: methyl 5-[[(3R)-1-[2-(4-methoxyphenyl)ethyl]piperidin-1-ium-3-yl]methyl-methyl-amino]-5-oxo-pentanoate CAS Name: 5-[[(3R)-1-[2-(4-methoxyphenyl)ethyl]-3-piperidin-1-iumyl]methyl-methylamino]-5-oxopentanoic acid methyl ester IUPAC Name: methyl 5-[[(3R)-1-[2-(4-methoxyphenyl)ethyl]piperidin-1-ium-3-yl]methyl-methylamino]-5-oxopentanoate Traditional Name: 5-keto-5-[[(3R)-1-[2-(4-methoxyphenyl)ethyl]piperidin-1-ium-3-yl]methyl-methyl-amino]valeric acid methyl ester Formula: C22H35N2O4+ MolecularWeight: 391.5243

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1CCC[NH+](C1)CCC2=CC=C(C=C2)OC)C(=O)CCCC(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C22H34N2O4/c1-23(21(25)7-4-8-22(26)28-3)16-19-6-5-14-24(17-19)15-13-18-9-11-20(27-2)12-10-18/h9-12,19H,4-8,13-17H2,1-3H3/p+1/t19-/m1/s1