methyl 3-[2-(3-methylphenoxy)ethanoylamino]-4-(4-methylpiperazin-4-ium-1-yl)benzoate

Systemtic Name: methyl 3-[2-(3-methylphenoxy)ethanoylamino]-4-(4-methylpiperazin-4-ium-1-yl)benzoate Openeye Name: methyl 3-[[2-(3-methylphenoxy)acetyl]amino]-4-(4-methylpiperazin-4-ium-1-yl)benzoate CAS Name: 3-[[2-(3-methylphenoxy)-1-oxoethyl]amino]-4-(4-methyl-1-piperazin-4-iumyl)benzoic acid methyl ester IUPAC Name: methyl 3-[[2-(3-methylphenoxy)acetyl]amino]-4-(4-methylpiperazin-4-ium-1-yl)benzoate Traditional Name: 3-[[2-(3-methylphenoxy)acetyl]amino]-4-(4-methylpiperazin-4-ium-1-yl)benzoic acid methyl ester Formula: C22H28N3O4+ MolecularWeight: 398.47542

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCC(=O)NC2=C(C=CC(=C2)C(=O)OC)N3CC[NH+](CC3)C

Isomeric SMILES

CC1=CC(=CC=C1)OCC(=O)NC2=C(C=CC(=C2)C(=O)OC)N3CC[NH+](CC3)C

InChI

InChI=1S/C22H27N3O4/c1-16-5-4-6-18(13-16)29-15-21(26)23-19-14-17(22(27)28-3)7-8-20(19)25-11-9-24(2)10-12-25/h4-8,13-14H,9-12,15H2,1-3H3,(H,23,26)/p+1