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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23N3O3/c1-18-9-11-19(12-10-18)8-7-15(20)17-14-5-3-13(4-6-14)16(21)22-2/h3-6H,7-12H2,1-2H3,(H,17,20)/p+2