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

Systemtic Name: methyl 4-[[1-[2-(2-methoxyphenyl)ethyl]piperidin-1-ium-4-yl]methyl-methyl-amino]-4-oxidanylidene-butanoate Openeye Name: methyl 4-[[1-[2-(2-methoxyphenyl)ethyl]piperidin-1-ium-4-yl]methyl-methyl-amino]-4-oxo-butanoate CAS Name: 4-[[1-[2-(2-methoxyphenyl)ethyl]-4-piperidin-1-iumyl]methyl-methylamino]-4-oxobutanoic acid methyl ester IUPAC Name: methyl 4-[[1-[2-(2-methoxyphenyl)ethyl]piperidin-1-ium-4-yl]methyl-methylamino]-4-oxobutanoate Traditional Name: 4-keto-4-[[1-[2-(2-methoxyphenyl)ethyl]piperidin-1-ium-4-yl]methyl-methyl-amino]butyric acid methyl ester Formula: C21H33N2O4+ MolecularWeight: 377.49772

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H32N2O4/c1-22(20(24)8-9-21(25)27-3)16-17-10-13-23(14-11-17)15-12-18-6-4-5-7-19(18)26-2/h4-7,17H,8-16H2,1-3H3/p+1