methyl 3,5-bis(chloranyl)-2-[2-(4-cyclopropylcarbonylpiperazin-1-ium-1-yl)ethanoylamino]benzoate

Systemtic Name: methyl 3,5-bis(chloranyl)-2-[2-(4-cyclopropylcarbonylpiperazin-1-ium-1-yl)ethanoylamino]benzoate Openeye Name: methyl 3,5-dichloro-2-[[2-[4-(cyclopropanecarbonyl)piperazin-1-ium-1-yl]acetyl]amino]benzoate CAS Name: 3,5-dichloro-2-[[2-[4-[cyclopropyl(oxo)methyl]-1-piperazin-1-iumyl]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3,5-dichloro-2-[[2-[4-(cyclopropanecarbonyl)piperazin-1-ium-1-yl]acetyl]amino]benzoate Traditional Name: 3,5-dichloro-2-[[2-[4-(cyclopropanecarbonyl)piperazin-1-ium-1-yl]acetyl]amino]benzoic acid methyl ester Formula: C18H22Cl2N3O4+ MolecularWeight: 415.29098

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1NC(=O)C[NH+]2CCN(CC2)C(=O)C3CC3)Cl)Cl

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1NC(=O)C[NH+]2CCN(CC2)C(=O)C3CC3)Cl)Cl

InChI

InChI=1S/C18H21Cl2N3O4/c1-27-18(26)13-8-12(19)9-14(20)16(13)21-15(24)10-22-4-6-23(7-5-22)17(25)11-2-3-11/h8-9,11H,2-7,10H2,1H3,(H,21,24)/p+1