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

Systemtic Name: methyl 4-(4-ethylpiperazin-4-ium-1-yl)-3-(2-phenylethanoylamino)benzoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C22H28N3O3+ MolecularWeight: 382.47602

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N3O3/c1-3-24-11-13-25(14-12-24)20-10-9-18(22(27)28-2)16-19(20)23-21(26)15-17-7-5-4-6-8-17/h4-10,16H,3,11-15H2,1-2H3,(H,23,26)/p+1