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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1CC[NH+](CC1)CCC2=CC=CC=C2OC)C(=O)CCCC(=O)OC

Isomeric SMILES

CN(CC1CC[NH+](CC1)CCC2=CC=CC=C2OC)C(=O)CCCC(=O)OC

InChI

InChI=1S/C22H34N2O4/c1-23(21(25)9-6-10-22(26)28-3)17-18-11-14-24(15-12-18)16-13-19-7-4-5-8-20(19)27-2/h4-5,7-8,18H,6,9-17H2,1-3H3/p+1