ethyl 4-[2-(4-phenylpiperazin-1-ium-1-yl)ethanoylamino]benzoate

Systemtic Name: ethyl 4-[2-(4-phenylpiperazin-1-ium-1-yl)ethanoylamino]benzoate Openeye Name: ethyl 4-[[2-(4-phenylpiperazin-1-ium-1-yl)acetyl]amino]benzoate CAS Name: 4-[[1-oxo-2-(4-phenyl-1-piperazin-1-iumyl)ethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-(4-phenylpiperazin-1-ium-1-yl)acetyl]amino]benzoate Traditional Name: 4-[[2-(4-phenylpiperazin-1-ium-1-yl)acetyl]amino]benzoic acid ethyl ester Formula: C21H26N3O3+ MolecularWeight: 368.44944

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O3/c1-2-27-21(26)17-8-10-18(11-9-17)22-20(25)16-23-12-14-24(15-13-23)19-6-4-3-5-7-19/h3-11H,2,12-16H2,1H3,(H,22,25)/p+1