methyl 1-[2-[[(1R)-1-(1-benzofuran-2-yl)ethyl]amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxylate

Systemtic Name: methyl 1-[2-[[(1R)-1-(1-benzofuran-2-yl)ethyl]amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxylate Openeye Name: methyl 1-[2-[[(1R)-1-(benzofuran-2-yl)ethyl]amino]-2-oxo-ethyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[2-[[(1R)-1-(2-benzofuranyl)ethyl]amino]-2-oxoethyl]-4-piperidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 1-[2-[[(1R)-1-(1-benzofuran-2-yl)ethyl]amino]-2-oxoethyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[2-[[(1R)-1-(benzofuran-2-yl)ethyl]amino]-2-keto-ethyl]piperidin-1-ium-4-carboxylic acid methyl ester Formula: C19H25N2O4+ MolecularWeight: 345.4128

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC2=CC=CC=C2O1)NC(=O)C[NH+]3CCC(CC3)C(=O)OC

Isomeric SMILES

C[C@H](C1=CC2=CC=CC=C2O1)NC(=O)C[NH+]3CCC(CC3)C(=O)OC

InChI

InChI=1S/C19H24N2O4/c1-13(17-11-15-5-3-4-6-16(15)25-17)20-18(22)12-21-9-7-14(8-10-21)19(23)24-2/h3-6,11,13-14H,7-10,12H2,1-2H3,(H,20,22)/p+1/t13-/m1/s1