methyl 4-(4-methylpiperazin-4-ium-1-yl)-3-(2-phenoxyethanoylamino)benzoate

Systemtic Name: methyl 4-(4-methylpiperazin-4-ium-1-yl)-3-(2-phenoxyethanoylamino)benzoate Openeye Name: methyl 4-(4-methylpiperazin-4-ium-1-yl)-3-[(2-phenoxyacetyl)amino]benzoate CAS Name: 4-(4-methyl-1-piperazin-4-iumyl)-3-[(1-oxo-2-phenoxyethyl)amino]benzoic acid methyl ester IUPAC Name: methyl 4-(4-methylpiperazin-4-ium-1-yl)-3-[(2-phenoxyacetyl)amino]benzoate Traditional Name: 4-(4-methylpiperazin-4-ium-1-yl)-3-[(2-phenoxyacetyl)amino]benzoic acid methyl ester Formula: C21H26N3O4+ MolecularWeight: 384.44884

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=C(C=C(C=C2)C(=O)OC)NC(=O)COC3=CC=CC=C3

Isomeric SMILES

C[NH+]1CCN(CC1)C2=C(C=C(C=C2)C(=O)OC)NC(=O)COC3=CC=CC=C3

InChI

InChI=1S/C21H25N3O4/c1-23-10-12-24(13-11-23)19-9-8-16(21(26)27-2)14-18(19)22-20(25)15-28-17-6-4-3-5-7-17/h3-9,14H,10-13,15H2,1-2H3,(H,22,25)/p+1