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

Systemtic Name: ethyl 4-[2-(4-methylpiperazine-1,4-diium-1-yl)ethanoylamino]benzoate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C16H25N3O3+2 MolecularWeight: 307.388

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)C[NH+]2CC[NH+](CC2)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)C[NH+]2CC[NH+](CC2)C

InChI

InChI=1S/C16H23N3O3/c1-3-22-16(21)13-4-6-14(7-5-13)17-15(20)12-19-10-8-18(2)9-11-19/h4-7H,3,8-12H2,1-2H3,(H,17,20)/p+2