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

Systemtic Name: methyl (2R)-2-[[1-[(2-methoxyphenyl)methyl]piperidin-1-ium-4-yl]carbonylamino]-4-methyl-pentanoate Openeye Name: methyl (2R)-2-[[1-[(2-methoxyphenyl)methyl]piperidin-1-ium-4-carbonyl]amino]-4-methyl-pentanoate CAS Name: (2R)-2-[[[1-[(2-methoxyphenyl)methyl]-4-piperidin-1-iumyl]-oxomethyl]amino]-4-methylpentanoic acid methyl ester IUPAC Name: methyl (2R)-2-[[1-[(2-methoxyphenyl)methyl]piperidin-1-ium-4-carbonyl]amino]-4-methylpentanoate Traditional Name: (2R)-4-methyl-2-[(1-o-anisylpiperidin-1-ium-4-carbonyl)amino]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=C2OC

Isomeric SMILES

CC(C)C[C@H](C(=O)OC)NC(=O)C1CC[NH+](CC1)CC2=CC=CC=C2OC

InChI

InChI=1S/C21H32N2O4/c1-15(2)13-18(21(25)27-4)22-20(24)16-9-11-23(12-10-16)14-17-7-5-6-8-19(17)26-3/h5-8,15-16,18H,9-14H2,1-4H3,(H,22,24)/p+1/t18-/m1/s1