ethyl 4-(4-ethylpiperazin-4-ium-1-yl)-3-(2-phenylethanoylamino)benzoate

Systemtic Name: ethyl 4-(4-ethylpiperazin-4-ium-1-yl)-3-(2-phenylethanoylamino)benzoate Openeye Name: ethyl 4-(4-ethylpiperazin-4-ium-1-yl)-3-[(2-phenylacetyl)amino]benzoate CAS Name: 4-(4-ethyl-1-piperazin-4-iumyl)-3-[(1-oxo-2-phenylethyl)amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-(4-ethylpiperazin-4-ium-1-yl)-3-[(2-phenylacetyl)amino]benzoate Traditional Name: 4-(4-ethylpiperazin-4-ium-1-yl)-3-[(2-phenylacetyl)amino]benzoic acid ethyl ester Formula: C23H30N3O3+ MolecularWeight: 396.5026

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=C(C=C(C=C2)C(=O)OCC)NC(=O)CC3=CC=CC=C3

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=C(C=C(C=C2)C(=O)OCC)NC(=O)CC3=CC=CC=C3

InChI

InChI=1S/C23H29N3O3/c1-3-25-12-14-26(15-13-25)21-11-10-19(23(28)29-4-2)17-20(21)24-22(27)16-18-8-6-5-7-9-18/h5-11,17H,3-4,12-16H2,1-2H3,(H,24,27)/p+1