methyl 4-methyl-3-[2-(4-methylpiperazine-1,4-diium-1-yl)ethanoylamino]benzoate

Systemtic Name: methyl 4-methyl-3-[2-(4-methylpiperazine-1,4-diium-1-yl)ethanoylamino]benzoate Openeye Name: methyl 4-methyl-3-[[2-(4-methylpiperazine-1,4-diium-1-yl)acetyl]amino]benzoate CAS Name: 4-methyl-3-[[2-(4-methyl-1-piperazine-1,4-diiumyl)-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-methyl-3-[[2-(4-methylpiperazine-1,4-diium-1-yl)acetyl]amino]benzoate Traditional Name: 4-methyl-3-[[2-(4-methylpiperazine-1,4-diium-1-yl)acetyl]amino]benzoic acid methyl ester Formula: C16H25N3O3+2 MolecularWeight: 307.388

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)C[NH+]2CC[NH+](CC2)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)C[NH+]2CC[NH+](CC2)C

InChI

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