methyl 2-[(2S)-3-oxidanylidene-1-[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl]piperazin-1-ium-2-yl]ethanoate

Systemtic Name: methyl 2-[(2S)-3-oxidanylidene-1-[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl]piperazin-1-ium-2-yl]ethanoate Openeye Name: methyl 2-[(2S)-3-oxo-1-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]piperazin-1-ium-2-yl]acetate CAS Name: 2-[(2S)-3-oxo-1-[2-oxo-2-(4-phenyl-1-piperazinyl)ethyl]-2-piperazin-1-iumyl]acetic acid methyl ester IUPAC Name: methyl 2-[(2S)-3-oxo-1-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]piperazin-1-ium-2-yl]acetate Traditional Name: 2-[(2S)-3-keto-1-[2-keto-2-(4-phenylpiperazino)ethyl]piperazin-1-ium-2-yl]acetic acid methyl ester Formula: C19H27N4O4+ MolecularWeight: 375.44208

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1C(=O)NCC[NH+]1CC(=O)N2CCN(CC2)C3=CC=CC=C3

Isomeric SMILES

COC(=O)C[C@H]1C(=O)NCC[NH+]1CC(=O)N2CCN(CC2)C3=CC=CC=C3

InChI

InChI=1S/C19H26N4O4/c1-27-18(25)13-16-19(26)20-7-8-23(16)14-17(24)22-11-9-21(10-12-22)15-5-3-2-4-6-15/h2-6,16H,7-14H2,1H3,(H,20,26)/p+1/t16-/m0/s1