ethyl 1-[2-[[4-[(2S)-butan-2-yl]phenyl]amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxylate

Systemtic Name: ethyl 1-[2-[[4-[(2S)-butan-2-yl]phenyl]amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[2-[4-[(1S)-1-methylpropyl]anilino]-2-oxo-ethyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[2-[4-[(2S)-butan-2-yl]anilino]-2-oxoethyl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-[4-[(2S)-butan-2-yl]anilino]-2-oxoethyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[2-keto-2-[4-[(1S)-1-methylpropyl]anilino]ethyl]piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C20H31N2O3+ MolecularWeight: 347.47174

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H30N2O3/c1-4-15(3)16-6-8-18(9-7-16)21-19(23)14-22-12-10-17(11-13-22)20(24)25-5-2/h6-9,15,17H,4-5,10-14H2,1-3H3,(H,21,23)/p+1/t15-/m0/s1