methyl (2R)-2-[4-(2-azanyl-2-oxidanylidene-ethyl)piperazin-4-ium-1-yl]-2-(2-chlorophenyl)ethanoate

Systemtic Name: methyl (2R)-2-[4-(2-azanyl-2-oxidanylidene-ethyl)piperazin-4-ium-1-yl]-2-(2-chlorophenyl)ethanoate Openeye Name: methyl (2R)-2-[4-(2-amino-2-oxo-ethyl)piperazin-4-ium-1-yl]-2-(2-chlorophenyl)acetate CAS Name: (2R)-2-[4-(2-amino-2-oxoethyl)-1-piperazin-4-iumyl]-2-(2-chlorophenyl)acetic acid methyl ester IUPAC Name: methyl (2R)-2-[4-(2-amino-2-oxoethyl)piperazin-4-ium-1-yl]-2-(2-chlorophenyl)acetate Traditional Name: (2R)-2-[4-(2-amino-2-keto-ethyl)piperazin-4-ium-1-yl]-2-(2-chlorophenyl)acetic acid methyl ester Formula: C15H21ClN3O3+ MolecularWeight: 326.79854

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C1=CC=CC=C1Cl)N2CC[NH+](CC2)CC(=O)N

Isomeric SMILES

COC(=O)[C@@H](C1=CC=CC=C1Cl)N2CC[NH+](CC2)CC(=O)N

InChI

InChI=1S/C15H20ClN3O3/c1-22-15(21)14(11-4-2-3-5-12(11)16)19-8-6-18(7-9-19)10-13(17)20/h2-5,14H,6-10H2,1H3,(H2,17,20)/p+1/t14-/m1/s1