methyl 1-[2-[[(1S)-1-(4-ethylphenyl)ethyl]amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxylate

Systemtic Name: methyl 1-[2-[[(1S)-1-(4-ethylphenyl)ethyl]amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxylate Openeye Name: methyl 1-[2-[[(1S)-1-(4-ethylphenyl)ethyl]amino]-2-oxo-ethyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[2-[[(1S)-1-(4-ethylphenyl)ethyl]amino]-2-oxoethyl]-4-piperidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 1-[2-[[(1S)-1-(4-ethylphenyl)ethyl]amino]-2-oxoethyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[2-[[(1S)-1-(4-ethylphenyl)ethyl]amino]-2-keto-ethyl]piperidin-1-ium-4-carboxylic acid methyl ester Formula: C19H29N2O3+ MolecularWeight: 333.44516

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(C)NC(=O)C[NH+]2CCC(CC2)C(=O)OC

Isomeric SMILES

CCC1=CC=C(C=C1)[C@H](C)NC(=O)C[NH+]2CCC(CC2)C(=O)OC

InChI

InChI=1S/C19H28N2O3/c1-4-15-5-7-16(8-6-15)14(2)20-18(22)13-21-11-9-17(10-12-21)19(23)24-3/h5-8,14,17H,4,9-13H2,1-3H3,(H,20,22)/p+1/t14-/m0/s1