ethyl (2R)-3-(4-methylpiperazin-4-ium-1-yl)-3-oxidanylidene-2-(phenylmethyl)propanoate

Systemtic Name: ethyl (2R)-3-(4-methylpiperazin-4-ium-1-yl)-3-oxidanylidene-2-(phenylmethyl)propanoate Openeye Name: ethyl (2R)-2-benzyl-3-(4-methylpiperazin-4-ium-1-yl)-3-oxo-propanoate CAS Name: (2R)-3-(4-methyl-1-piperazin-4-iumyl)-3-oxo-2-(phenylmethyl)propanoic acid ethyl ester IUPAC Name: ethyl (2R)-2-benzyl-3-(4-methylpiperazin-4-ium-1-yl)-3-oxopropanoate Traditional Name: (2R)-2-benzyl-3-keto-3-(4-methylpiperazin-4-ium-1-yl)propionic acid ethyl ester Formula: C17H25N2O3+ MolecularWeight: 305.392

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=CC=CC=C1)C(=O)N2CC[NH+](CC2)C

Isomeric SMILES

CCOC(=O)[C@H](CC1=CC=CC=C1)C(=O)N2CC[NH+](CC2)C

InChI

InChI=1S/C17H24N2O3/c1-3-22-17(21)15(13-14-7-5-4-6-8-14)16(20)19-11-9-18(2)10-12-19/h4-8,15H,3,9-13H2,1-2H3/p+1/t15-/m1/s1