ethyl 4-[2-[[(1R)-1-(4-methylphenyl)propyl]amino]-2-oxidanylidene-ethyl]piperazin-4-ium-1-carboxylate

Systemtic Name: ethyl 4-[2-[[(1R)-1-(4-methylphenyl)propyl]amino]-2-oxidanylidene-ethyl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[2-oxo-2-[[(1R)-1-(p-tolyl)propyl]amino]ethyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[2-[[(1R)-1-(4-methylphenyl)propyl]amino]-2-oxoethyl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[[(1R)-1-(4-methylphenyl)propyl]amino]-2-oxoethyl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[2-keto-2-[[(1R)-1-(p-tolyl)propyl]amino]ethyl]piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C19H30N3O3+ MolecularWeight: 348.4598

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H29N3O3/c1-4-17(16-8-6-15(3)7-9-16)20-18(23)14-21-10-12-22(13-11-21)19(24)25-5-2/h6-9,17H,4-5,10-14H2,1-3H3,(H,20,23)/p+1/t17-/m1/s1