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

Systemtic Name: methyl 4-[2-[4-[(4-methoxyphenyl)methyl]piperazine-1,4-diium-1-yl]ethanoylamino]butanoate Openeye Name: methyl 4-[[2-[4-[(4-methoxyphenyl)methyl]piperazine-1,4-diium-1-yl]acetyl]amino]butanoate CAS Name: 4-[[2-[4-[(4-methoxyphenyl)methyl]-1-piperazine-1,4-diiumyl]-1-oxoethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[[2-[4-[(4-methoxyphenyl)methyl]piperazine-1,4-diium-1-yl]acetyl]amino]butanoate Traditional Name: 4-[[2-(4-p-anisylpiperazine-1,4-diium-1-yl)acetyl]amino]butyric acid methyl ester Formula: C19H31N3O4+2 MolecularWeight: 365.46714

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C[NH+]2CC[NH+](CC2)CC(=O)NCCCC(=O)OC

Isomeric SMILES

COC1=CC=C(C=C1)C[NH+]2CC[NH+](CC2)CC(=O)NCCCC(=O)OC

InChI

InChI=1S/C19H29N3O4/c1-25-17-7-5-16(6-8-17)14-21-10-12-22(13-11-21)15-18(23)20-9-3-4-19(24)26-2/h5-8H,3-4,9-15H2,1-2H3,(H,20,23)/p+2