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

Systemtic Name: methyl (2R)-2-[[1-[(3-methoxyphenyl)methyl]piperidin-1-ium-4-yl]carbonylamino]-4-methyl-pentanoate Openeye Name: methyl (2R)-2-[[1-[(3-methoxyphenyl)methyl]piperidin-1-ium-4-carbonyl]amino]-4-methyl-pentanoate CAS Name: (2R)-2-[[[1-[(3-methoxyphenyl)methyl]-4-piperidin-1-iumyl]-oxomethyl]amino]-4-methylpentanoic acid methyl ester IUPAC Name: methyl (2R)-2-[[1-[(3-methoxyphenyl)methyl]piperidin-1-ium-4-carbonyl]amino]-4-methylpentanoate Traditional Name: (2R)-2-[(1-m-anisylpiperidin-1-ium-4-carbonyl)amino]-4-methyl-valeric acid methyl ester Formula: C21H33N2O4+ MolecularWeight: 377.49772

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C21H32N2O4/c1-15(2)12-19(21(25)27-4)22-20(24)17-8-10-23(11-9-17)14-16-6-5-7-18(13-16)26-3/h5-7,13,15,17,19H,8-12,14H2,1-4H3,(H,22,24)/p+1/t19-/m1/s1