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

Systemtic Name: methyl 4-[2-(4-methylpiperazine-1,4-diium-1-yl)ethanoylamino]benzoate Openeye Name: methyl 4-[[2-(4-methylpiperazine-1,4-diium-1-yl)acetyl]amino]benzoate CAS Name: 4-[[2-(4-methyl-1-piperazine-1,4-diiumyl)-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-(4-methylpiperazine-1,4-diium-1-yl)acetyl]amino]benzoate Traditional Name: 4-[[2-(4-methylpiperazine-1,4-diium-1-yl)acetyl]amino]benzoic acid methyl ester Formula: C15H23N3O3+2 MolecularWeight: 293.36142

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CC[NH+](CC1)CC(=O)NC2=CC=C(C=C2)C(=O)OC

Isomeric SMILES

C[NH+]1CC[NH+](CC1)CC(=O)NC2=CC=C(C=C2)C(=O)OC

InChI

InChI=1S/C15H21N3O3/c1-17-7-9-18(10-8-17)11-14(19)16-13-5-3-12(4-6-13)15(20)21-2/h3-6H,7-11H2,1-2H3,(H,16,19)/p+2