ethyl 4-[(2S)-1-[(4-ethylphenyl)amino]-1-oxidanylidene-propan-2-yl]piperazin-4-ium-1-carboxylate

Systemtic Name: ethyl 4-[(2S)-1-[(4-ethylphenyl)amino]-1-oxidanylidene-propan-2-yl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[(1S)-2-(4-ethylanilino)-1-methyl-2-oxo-ethyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[(2S)-1-(4-ethylanilino)-1-oxopropan-2-yl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(2S)-1-(4-ethylanilino)-1-oxopropan-2-yl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[(1S)-2-(4-ethylanilino)-2-keto-1-methyl-ethyl]piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C18H28N3O3+ MolecularWeight: 334.43322

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)C(C)[NH+]2CCN(CC2)C(=O)OCC

Isomeric SMILES

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

InChI

InChI=1S/C18H27N3O3/c1-4-15-6-8-16(9-7-15)19-17(22)14(3)20-10-12-21(13-11-20)18(23)24-5-2/h6-9,14H,4-5,10-13H2,1-3H3,(H,19,22)/p+1/t14-/m0/s1