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

Systemtic Name: methyl 4-[2-[(2R)-1-[(2-ethoxyphenyl)methyl]-3-oxidanylidene-piperazin-1-ium-2-yl]ethanoylamino]butanoate Openeye Name: methyl 4-[[2-[(2R)-1-[(2-ethoxyphenyl)methyl]-3-oxo-piperazin-1-ium-2-yl]acetyl]amino]butanoate CAS Name: 4-[[2-[(2R)-1-[(2-ethoxyphenyl)methyl]-3-oxo-2-piperazin-1-iumyl]-1-oxoethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[[2-[(2R)-1-[(2-ethoxyphenyl)methyl]-3-oxopiperazin-1-ium-2-yl]acetyl]amino]butanoate Traditional Name: 4-[[2-[(2R)-1-(2-ethoxybenzyl)-3-keto-piperazin-1-ium-2-yl]acetyl]amino]butyric acid methyl ester Formula: C20H30N3O5+ MolecularWeight: 392.4693

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1C[NH+]2CCNC(=O)C2CC(=O)NCCCC(=O)OC

Isomeric SMILES

CCOC1=CC=CC=C1C[NH+]2CCNC(=O)[C@H]2CC(=O)NCCCC(=O)OC

InChI

InChI=1S/C20H29N3O5/c1-3-28-17-8-5-4-7-15(17)14-23-12-11-22-20(26)16(23)13-18(24)21-10-6-9-19(25)27-2/h4-5,7-8,16H,3,6,9-14H2,1-2H3,(H,21,24)(H,22,26)/p+1/t16-/m1/s1