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

Systemtic Name: methyl 5-[[1-[2-(4-chlorophenyl)ethyl]piperidin-1-ium-4-yl]methyl-methyl-amino]-5-oxidanylidene-pentanoate Openeye Name: methyl 5-[[1-[2-(4-chlorophenyl)ethyl]piperidin-1-ium-4-yl]methyl-methyl-amino]-5-oxo-pentanoate CAS Name: 5-[[1-[2-(4-chlorophenyl)ethyl]-4-piperidin-1-iumyl]methyl-methylamino]-5-oxopentanoic acid methyl ester IUPAC Name: methyl 5-[[1-[2-(4-chlorophenyl)ethyl]piperidin-1-ium-4-yl]methyl-methylamino]-5-oxopentanoate Traditional Name: 5-[[1-[2-(4-chlorophenyl)ethyl]piperidin-1-ium-4-yl]methyl-methyl-amino]-5-keto-valeric acid methyl ester Formula: C21H32ClN2O3+ MolecularWeight: 395.94338

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1CC[NH+](CC1)CCC2=CC=C(C=C2)Cl)C(=O)CCCC(=O)OC

Isomeric SMILES

CN(CC1CC[NH+](CC1)CCC2=CC=C(C=C2)Cl)C(=O)CCCC(=O)OC

InChI

InChI=1S/C21H31ClN2O3/c1-23(20(25)4-3-5-21(26)27-2)16-18-11-14-24(15-12-18)13-10-17-6-8-19(22)9-7-17/h6-9,18H,3-5,10-16H2,1-2H3/p+1