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

Systemtic Name: propan-2-yl 4-[2-(4-phenylpiperazin-1-ium-1-yl)ethanoylamino]benzoate Openeye Name: isopropyl 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 propan-2-yl ester IUPAC Name: propan-2-yl 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 isopropyl ester Formula: C22H28N3O3+ MolecularWeight: 382.47602

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N3O3/c1-17(2)28-22(27)18-8-10-19(11-9-18)23-21(26)16-24-12-14-25(15-13-24)20-6-4-3-5-7-20/h3-11,17H,12-16H2,1-2H3,(H,23,26)/p+1