methyl 1-[2-[[(1R)-3-methyl-1-phenyl-butyl]amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxylate

Systemtic Name: methyl 1-[2-[[(1R)-3-methyl-1-phenyl-butyl]amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxylate Openeye Name: methyl 1-[2-[[(1R)-3-methyl-1-phenyl-butyl]amino]-2-oxo-ethyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[2-[[(1R)-3-methyl-1-phenylbutyl]amino]-2-oxoethyl]-4-piperidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 1-[2-[[(1R)-3-methyl-1-phenylbutyl]amino]-2-oxoethyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[2-keto-2-[[(1R)-3-methyl-1-phenyl-butyl]amino]ethyl]piperidin-1-ium-4-carboxylic acid methyl ester Formula: C20H31N2O3+ MolecularWeight: 347.47174

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C1=CC=CC=C1)NC(=O)C[NH+]2CCC(CC2)C(=O)OC

Isomeric SMILES

CC(C)C[C@H](C1=CC=CC=C1)NC(=O)C[NH+]2CCC(CC2)C(=O)OC

InChI

InChI=1S/C20H30N2O3/c1-15(2)13-18(16-7-5-4-6-8-16)21-19(23)14-22-11-9-17(10-12-22)20(24)25-3/h4-8,15,17-18H,9-14H2,1-3H3,(H,21,23)/p+1/t18-/m1/s1