methyl 4-[3-(4-phenylpiperazin-1-ium-1-yl)propanoylamino]benzoate

Systemtic Name: methyl 4-[3-(4-phenylpiperazin-1-ium-1-yl)propanoylamino]benzoate Openeye Name: methyl 4-[3-(4-phenylpiperazin-1-ium-1-yl)propanoylamino]benzoate CAS Name: 4-[[1-oxo-3-(4-phenyl-1-piperazin-1-iumyl)propyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[3-(4-phenylpiperazin-1-ium-1-yl)propanoylamino]benzoate Traditional Name: 4-[3-(4-phenylpiperazin-1-ium-1-yl)propanoylamino]benzoic acid methyl ester Formula: C21H26N3O3+ MolecularWeight: 368.44944

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=O)CC[NH+]2CCN(CC2)C3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=O)CC[NH+]2CCN(CC2)C3=CC=CC=C3

InChI

InChI=1S/C21H25N3O3/c1-27-21(26)17-7-9-18(10-8-17)22-20(25)11-12-23-13-15-24(16-14-23)19-5-3-2-4-6-19/h2-10H,11-16H2,1H3,(H,22,25)/p+1