methyl (2R)-2-[[1-[(3-hydroxyphenyl)methyl]piperidin-1-ium-4-yl]carbonylamino]-4-methyl-pentanoate

Systemtic Name: methyl (2R)-2-[[1-[(3-hydroxyphenyl)methyl]piperidin-1-ium-4-yl]carbonylamino]-4-methyl-pentanoate Openeye Name: methyl (2R)-2-[[1-[(3-hydroxyphenyl)methyl]piperidin-1-ium-4-carbonyl]amino]-4-methyl-pentanoate CAS Name: (2R)-2-[[[1-[(3-hydroxyphenyl)methyl]-4-piperidin-1-iumyl]-oxomethyl]amino]-4-methylpentanoic acid methyl ester IUPAC Name: methyl (2R)-2-[[1-[(3-hydroxyphenyl)methyl]piperidin-1-ium-4-carbonyl]amino]-4-methylpentanoate Traditional Name: (2R)-2-[[1-(3-hydroxybenzyl)piperidin-1-ium-4-carbonyl]amino]-4-methyl-valeric acid methyl ester Formula: C20H31N2O4+ MolecularWeight: 363.47114

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)OC)NC(=O)C1CC[NH+](CC1)CC2=CC(=CC=C2)O

Isomeric SMILES

CC(C)C[C@H](C(=O)OC)NC(=O)C1CC[NH+](CC1)CC2=CC(=CC=C2)O

InChI

InChI=1S/C20H30N2O4/c1-14(2)11-18(20(25)26-3)21-19(24)16-7-9-22(10-8-16)13-15-5-4-6-17(23)12-15/h4-6,12,14,16,18,23H,7-11,13H2,1-3H3,(H,21,24)/p+1/t18-/m1/s1