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

Systemtic Name: ethyl 4-[2-[[2-[(2S)-butan-2-yl]phenyl]amino]-2-oxidanylidene-ethyl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[2-[2-[(1S)-1-methylpropyl]anilino]-2-oxo-ethyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[2-[2-[(2S)-butan-2-yl]anilino]-2-oxoethyl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[2-[(2S)-butan-2-yl]anilino]-2-oxoethyl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[2-keto-2-[2-[(1S)-1-methylpropyl]anilino]ethyl]piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C19H30N3O3+ MolecularWeight: 348.4598

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=CC=C1NC(=O)C[NH+]2CCN(CC2)C(=O)OCC

Isomeric SMILES

CC[C@H](C)C1=CC=CC=C1NC(=O)C[NH+]2CCN(CC2)C(=O)OCC

InChI

InChI=1S/C19H29N3O3/c1-4-15(3)16-8-6-7-9-17(16)20-18(23)14-21-10-12-22(13-11-21)19(24)25-5-2/h6-9,15H,4-5,10-14H2,1-3H3,(H,20,23)/p+1/t15-/m0/s1