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

Systemtic Name: methyl 4-[2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]ethanoylamino]butanoate Openeye Name: methyl 4-[[2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]acetyl]amino]butanoate CAS Name: 4-[[2-[4-(3-chlorophenyl)-1-piperazin-1-iumyl]-1-oxoethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[[2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]acetyl]amino]butanoate Traditional Name: 4-[[2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]acetyl]amino]butyric acid methyl ester Formula: C17H25ClN3O3+ MolecularWeight: 354.8517

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCNC(=O)C[NH+]1CCN(CC1)C2=CC(=CC=C2)Cl

Isomeric SMILES

COC(=O)CCCNC(=O)C[NH+]1CCN(CC1)C2=CC(=CC=C2)Cl

InChI

InChI=1S/C17H24ClN3O3/c1-24-17(23)6-3-7-19-16(22)13-20-8-10-21(11-9-20)15-5-2-4-14(18)12-15/h2,4-5,12H,3,6-11,13H2,1H3,(H,19,22)/p+1