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

Systemtic Name: methyl 2-[2-[4-[(4-methoxyphenyl)methyl]piperazine-1,4-diium-1-yl]ethanoylamino]benzoate Openeye Name: methyl 2-[[2-[4-[(4-methoxyphenyl)methyl]piperazine-1,4-diium-1-yl]acetyl]amino]benzoate CAS Name: 2-[[2-[4-[(4-methoxyphenyl)methyl]-1-piperazine-1,4-diiumyl]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[2-[4-[(4-methoxyphenyl)methyl]piperazine-1,4-diium-1-yl]acetyl]amino]benzoate Traditional Name: 2-[[2-(4-p-anisylpiperazine-1,4-diium-1-yl)acetyl]amino]benzoic acid methyl ester Formula: C22H29N3O4+2 MolecularWeight: 399.48336

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C[NH+]2CC[NH+](CC2)CC(=O)NC3=CC=CC=C3C(=O)OC

Isomeric SMILES

COC1=CC=C(C=C1)C[NH+]2CC[NH+](CC2)CC(=O)NC3=CC=CC=C3C(=O)OC

InChI

InChI=1S/C22H27N3O4/c1-28-18-9-7-17(8-10-18)15-24-11-13-25(14-12-24)16-21(26)23-20-6-4-3-5-19(20)22(27)29-2/h3-10H,11-16H2,1-2H3,(H,23,26)/p+2