ethyl 4-[(4-propylpiperazin-4-ium-1-yl)carbonylamino]benzoate

Systemtic Name: ethyl 4-[(4-propylpiperazin-4-ium-1-yl)carbonylamino]benzoate Openeye Name: ethyl 4-[(4-propylpiperazin-4-ium-1-carbonyl)amino]benzoate CAS Name: 4-[[oxo-(4-propyl-1-piperazin-4-iumyl)methyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(4-propylpiperazin-4-ium-1-carbonyl)amino]benzoate Traditional Name: 4-[(4-propylpiperazin-4-ium-1-carbonyl)amino]benzoic acid ethyl ester Formula: C17H26N3O3+ MolecularWeight: 320.40664

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+]1CCN(CC1)C(=O)NC2=CC=C(C=C2)C(=O)OCC

Isomeric SMILES

CCC[NH+]1CCN(CC1)C(=O)NC2=CC=C(C=C2)C(=O)OCC

InChI

InChI=1S/C17H25N3O3/c1-3-9-19-10-12-20(13-11-19)17(22)18-15-7-5-14(6-8-15)16(21)23-4-2/h5-8H,3-4,9-13H2,1-2H3,(H,18,22)/p+1