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

Systemtic Name: methyl 5-[[1-[(2-methoxyphenyl)methyl]piperidin-1-ium-4-yl]methyl-(2-methylpropyl)amino]-5-oxidanylidene-pentanoate Openeye Name: methyl 5-[isobutyl-[[1-[(2-methoxyphenyl)methyl]piperidin-1-ium-4-yl]methyl]amino]-5-oxo-pentanoate CAS Name: 5-[[1-[(2-methoxyphenyl)methyl]-4-piperidin-1-iumyl]methyl-(2-methylpropyl)amino]-5-oxopentanoic acid methyl ester IUPAC Name: methyl 5-[[1-[(2-methoxyphenyl)methyl]piperidin-1-ium-4-yl]methyl-(2-methylpropyl)amino]-5-oxopentanoate Traditional Name: 5-[isobutyl-[(1-o-anisylpiperidin-1-ium-4-yl)methyl]amino]-5-keto-valeric acid methyl ester Formula: C24H39N2O4+ MolecularWeight: 419.57746

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN(CC1CC[NH+](CC1)CC2=CC=CC=C2OC)C(=O)CCCC(=O)OC

Isomeric SMILES

CC(C)CN(CC1CC[NH+](CC1)CC2=CC=CC=C2OC)C(=O)CCCC(=O)OC

InChI

InChI=1S/C24H38N2O4/c1-19(2)16-26(23(27)10-7-11-24(28)30-4)17-20-12-14-25(15-13-20)18-21-8-5-6-9-22(21)29-3/h5-6,8-9,19-20H,7,10-18H2,1-4H3/p+1