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

Systemtic Name: methyl 4-[2-[(2R)-1-[(2-methoxyphenyl)methyl]-3-oxidanylidene-piperazin-1-ium-2-yl]ethanoylamino]butanoate Openeye Name: methyl 4-[[2-[(2R)-1-[(2-methoxyphenyl)methyl]-3-oxo-piperazin-1-ium-2-yl]acetyl]amino]butanoate CAS Name: 4-[[2-[(2R)-1-[(2-methoxyphenyl)methyl]-3-oxo-2-piperazin-1-iumyl]-1-oxoethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[[2-[(2R)-1-[(2-methoxyphenyl)methyl]-3-oxopiperazin-1-ium-2-yl]acetyl]amino]butanoate Traditional Name: 4-[[2-[(2R)-3-keto-1-o-anisyl-piperazin-1-ium-2-yl]acetyl]amino]butyric acid methyl ester Formula: C19H28N3O5+ MolecularWeight: 378.44272

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C[NH+]2CCNC(=O)C2CC(=O)NCCCC(=O)OC

Isomeric SMILES

COC1=CC=CC=C1C[NH+]2CCNC(=O)[C@H]2CC(=O)NCCCC(=O)OC

InChI

InChI=1S/C19H27N3O5/c1-26-16-7-4-3-6-14(16)13-22-11-10-21-19(25)15(22)12-17(23)20-9-5-8-18(24)27-2/h3-4,6-7,15H,5,8-13H2,1-2H3,(H,20,23)(H,21,25)/p+1/t15-/m1/s1