methyl 3-[(2-methoxyphenyl)carbonylamino]-4-(4-methylpiperazin-4-ium-1-yl)benzoate

Systemtic Name: methyl 3-[(2-methoxyphenyl)carbonylamino]-4-(4-methylpiperazin-4-ium-1-yl)benzoate Openeye Name: methyl 3-[(2-methoxybenzoyl)amino]-4-(4-methylpiperazin-4-ium-1-yl)benzoate CAS Name: 3-[[(2-methoxyphenyl)-oxomethyl]amino]-4-(4-methyl-1-piperazin-4-iumyl)benzoic acid methyl ester IUPAC Name: methyl 3-[(2-methoxybenzoyl)amino]-4-(4-methylpiperazin-4-ium-1-yl)benzoate Traditional Name: 4-(4-methylpiperazin-4-ium-1-yl)-3-(o-anisoylamino)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)C3=CC=CC=C3OC

Isomeric SMILES

C[NH+]1CCN(CC1)C2=C(C=C(C=C2)C(=O)OC)NC(=O)C3=CC=CC=C3OC

InChI

InChI=1S/C21H25N3O4/c1-23-10-12-24(13-11-23)18-9-8-15(21(26)28-3)14-17(18)22-20(25)16-6-4-5-7-19(16)27-2/h4-9,14H,10-13H2,1-3H3,(H,22,25)/p+1