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

Systemtic Name: methyl 4-[2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]ethanoylamino]butanoate Openeye Name: methyl 4-[[2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]acetyl]amino]butanoate CAS Name: 4-[[2-[4-(3-methoxyphenyl)-1-piperazin-1-iumyl]-1-oxoethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[[2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]acetyl]amino]butanoate Traditional Name: 4-[[2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]acetyl]amino]butyric acid methyl ester Formula: C18H28N3O4+ MolecularWeight: 350.43262

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)N2CC[NH+](CC2)CC(=O)NCCCC(=O)OC

Isomeric SMILES

COC1=CC=CC(=C1)N2CC[NH+](CC2)CC(=O)NCCCC(=O)OC

InChI

InChI=1S/C18H27N3O4/c1-24-16-6-3-5-15(13-16)21-11-9-20(10-12-21)14-17(22)19-8-4-7-18(23)25-2/h3,5-6,13H,4,7-12,14H2,1-2H3,(H,19,22)/p+1