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

Systemtic Name: propan-2-yl 4-[2-(4-methylpiperazine-1,4-diium-1-yl)ethanoylamino]benzoate Openeye Name: isopropyl 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 propan-2-yl ester IUPAC Name: propan-2-yl 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 isopropyl ester Formula: C17H27N3O3+2 MolecularWeight: 321.41458

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H25N3O3/c1-13(2)23-17(22)14-4-6-15(7-5-14)18-16(21)12-20-10-8-19(3)9-11-20/h4-7,13H,8-12H2,1-3H3,(H,18,21)/p+2