ethyl 4-[(2R)-1-[(4-methylphenyl)methylamino]-1-oxidanylidene-propan-2-yl]piperazin-4-ium-1-carboxylate

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CC[NH+](CC1)C(C)C(=O)NCC2=CC=C(C=C2)C

Isomeric SMILES

CCOC(=O)N1CC[NH+](CC1)[C@H](C)C(=O)NCC2=CC=C(C=C2)C

InChI

InChI=1S/C18H27N3O3/c1-4-24-18(23)21-11-9-20(10-12-21)15(3)17(22)19-13-16-7-5-14(2)6-8-16/h5-8,15H,4,9-13H2,1-3H3,(H,19,22)/p+1/t15-/m1/s1