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

Systemtic Name: methyl 4-[[(3R)-1-[2-(2-methoxyphenyl)ethyl]piperidin-1-ium-3-yl]methyl-methyl-amino]-4-oxidanylidene-butanoate Openeye Name: methyl 4-[[(3R)-1-[2-(2-methoxyphenyl)ethyl]piperidin-1-ium-3-yl]methyl-methyl-amino]-4-oxo-butanoate CAS Name: 4-[[(3R)-1-[2-(2-methoxyphenyl)ethyl]-3-piperidin-1-iumyl]methyl-methylamino]-4-oxobutanoic acid methyl ester IUPAC Name: methyl 4-[[(3R)-1-[2-(2-methoxyphenyl)ethyl]piperidin-1-ium-3-yl]methyl-methylamino]-4-oxobutanoate Traditional Name: 4-keto-4-[[(3R)-1-[2-(2-methoxyphenyl)ethyl]piperidin-1-ium-3-yl]methyl-methyl-amino]butyric acid methyl ester Formula: C21H33N2O4+ MolecularWeight: 377.49772

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1CCC[NH+](C1)CCC2=CC=CC=C2OC)C(=O)CCC(=O)OC

Isomeric SMILES

CN(C[C@H]1CCC[NH+](C1)CCC2=CC=CC=C2OC)C(=O)CCC(=O)OC

InChI

InChI=1S/C21H32N2O4/c1-22(20(24)10-11-21(25)27-3)15-17-7-6-13-23(16-17)14-12-18-8-4-5-9-19(18)26-2/h4-5,8-9,17H,6-7,10-16H2,1-3H3/p+1/t17-/m1/s1