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

Systemtic Name: methyl (2R)-2-[[1-[(3-methoxy-4-oxidanyl-phenyl)methyl]piperidin-1-ium-4-yl]carbonylamino]-4-methyl-pentanoate Openeye Name: methyl (2R)-2-[[1-[(4-hydroxy-3-methoxy-phenyl)methyl]piperidin-1-ium-4-carbonyl]amino]-4-methyl-pentanoate CAS Name: (2R)-2-[[[1-[(4-hydroxy-3-methoxyphenyl)methyl]-4-piperidin-1-iumyl]-oxomethyl]amino]-4-methylpentanoic acid methyl ester IUPAC Name: methyl (2R)-2-[[1-[(4-hydroxy-3-methoxyphenyl)methyl]piperidin-1-ium-4-carbonyl]amino]-4-methylpentanoate Traditional Name: (2R)-4-methyl-2-[(1-vanillylpiperidin-1-ium-4-carbonyl)amino]valeric acid methyl ester Formula: C21H33N2O5+ MolecularWeight: 393.49712

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H32N2O5/c1-14(2)11-17(21(26)28-4)22-20(25)16-7-9-23(10-8-16)13-15-5-6-18(24)19(12-15)27-3/h5-6,12,14,16-17,24H,7-11,13H2,1-4H3,(H,22,25)/p+1/t17-/m1/s1