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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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