methyl 4-[2-[(2R)-1-(naphthalen-2-ylmethyl)-3-oxidanylidene-piperazin-1-ium-2-yl]ethanoylamino]butanoate

Systemtic Name: methyl 4-[2-[(2R)-1-(naphthalen-2-ylmethyl)-3-oxidanylidene-piperazin-1-ium-2-yl]ethanoylamino]butanoate Openeye Name: methyl 4-[[2-[(2R)-1-(2-naphthylmethyl)-3-oxo-piperazin-1-ium-2-yl]acetyl]amino]butanoate CAS Name: 4-[[2-[(2R)-1-(2-naphthalenylmethyl)-3-oxo-2-piperazin-1-iumyl]-1-oxoethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[[2-[(2R)-1-(naphthalen-2-ylmethyl)-3-oxopiperazin-1-ium-2-yl]acetyl]amino]butanoate Traditional Name: 4-[[2-[(2R)-3-keto-1-(2-naphthylmethyl)piperazin-1-ium-2-yl]acetyl]amino]butyric acid methyl ester Formula: C22H28N3O4+ MolecularWeight: 398.47542

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCNC(=O)CC1C(=O)NCC[NH+]1CC2=CC3=CC=CC=C3C=C2

Isomeric SMILES

COC(=O)CCCNC(=O)C[C@@H]1C(=O)NCC[NH+]1CC2=CC3=CC=CC=C3C=C2

InChI

InChI=1S/C22H27N3O4/c1-29-21(27)7-4-10-23-20(26)14-19-22(28)24-11-12-25(19)15-16-8-9-17-5-2-3-6-18(17)13-16/h2-3,5-6,8-9,13,19H,4,7,10-12,14-15H2,1H3,(H,23,26)(H,24,28)/p+1/t19-/m1/s1