methyl 2-[(2S)-1-[2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl]-3-oxidanylidene-piperazin-1-ium-2-yl]ethanoate

Systemtic Name: methyl 2-[(2S)-1-[2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl]-3-oxidanylidene-piperazin-1-ium-2-yl]ethanoate Openeye Name: methyl 2-[(2S)-1-[2-(1,3-benzodioxol-5-ylamino)-2-oxo-ethyl]-3-oxo-piperazin-1-ium-2-yl]acetate CAS Name: 2-[(2S)-1-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]-3-oxo-2-piperazin-1-iumyl]acetic acid methyl ester IUPAC Name: methyl 2-[(2S)-1-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]-3-oxopiperazin-1-ium-2-yl]acetate Traditional Name: 2-[(2S)-1-[2-(1,3-benzodioxol-5-ylamino)-2-keto-ethyl]-3-keto-piperazin-1-ium-2-yl]acetic acid methyl ester Formula: C16H20N3O6+ MolecularWeight: 350.3465

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1C(=O)NCC[NH+]1CC(=O)NC2=CC3=C(C=C2)OCO3

Isomeric SMILES

COC(=O)C[C@H]1C(=O)NCC[NH+]1CC(=O)NC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C16H19N3O6/c1-23-15(21)7-11-16(22)17-4-5-19(11)8-14(20)18-10-2-3-12-13(6-10)25-9-24-12/h2-3,6,11H,4-5,7-9H2,1H3,(H,17,22)(H,18,20)/p+1/t11-/m0/s1