methyl 4-[2-[4-(phenylmethyl)piperazine-1,4-diium-1-yl]ethanoylamino]butanoate

Systemtic Name: methyl 4-[2-[4-(phenylmethyl)piperazine-1,4-diium-1-yl]ethanoylamino]butanoate Openeye Name: methyl 4-[[2-(4-benzylpiperazine-1,4-diium-1-yl)acetyl]amino]butanoate CAS Name: 4-[[1-oxo-2-[4-(phenylmethyl)-1-piperazine-1,4-diiumyl]ethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[[2-(4-benzylpiperazine-1,4-diium-1-yl)acetyl]amino]butanoate Traditional Name: 4-[[2-(4-benzylpiperazine-1,4-diium-1-yl)acetyl]amino]butyric acid methyl ester Formula: C18H29N3O3+2 MolecularWeight: 335.44116

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCNC(=O)C[NH+]1CC[NH+](CC1)CC2=CC=CC=C2

Isomeric SMILES

COC(=O)CCCNC(=O)C[NH+]1CC[NH+](CC1)CC2=CC=CC=C2

InChI

InChI=1S/C18H27N3O3/c1-24-18(23)8-5-9-19-17(22)15-21-12-10-20(11-13-21)14-16-6-3-2-4-7-16/h2-4,6-7H,5,8-15H2,1H3,(H,19,22)/p+2