propyl 4-[2-[4-(2-morpholin-4-yl-2-oxidanylidene-ethyl)piperazin-1-ium-1-yl]ethanoylamino]benzoate

Systemtic Name: propyl 4-[2-[4-(2-morpholin-4-yl-2-oxidanylidene-ethyl)piperazin-1-ium-1-yl]ethanoylamino]benzoate Openeye Name: propyl 4-[[2-[4-(2-morpholino-2-oxo-ethyl)piperazin-1-ium-1-yl]acetyl]amino]benzoate CAS Name: 4-[[2-[4-[2-(4-morpholinyl)-2-oxoethyl]-1-piperazin-1-iumyl]-1-oxoethyl]amino]benzoic acid propyl ester IUPAC Name: propyl 4-[[2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-ium-1-yl]acetyl]amino]benzoate Traditional Name: 4-[[2-[4-(2-keto-2-morpholino-ethyl)piperazin-1-ium-1-yl]acetyl]amino]benzoic acid propyl ester Formula: C22H33N4O5+ MolecularWeight: 433.52122

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=CC=C(C=C1)NC(=O)C[NH+]2CCN(CC2)CC(=O)N3CCOCC3

Isomeric SMILES

CCCOC(=O)C1=CC=C(C=C1)NC(=O)C[NH+]2CCN(CC2)CC(=O)N3CCOCC3

InChI

InChI=1S/C22H32N4O5/c1-2-13-31-22(29)18-3-5-19(6-4-18)23-20(27)16-24-7-9-25(10-8-24)17-21(28)26-11-14-30-15-12-26/h3-6H,2,7-17H2,1H3,(H,23,27)/p+1