methyl 3-benzamido-4-(4-methylpiperazin-4-ium-1-yl)benzoate

Systemtic Name: methyl 3-benzamido-4-(4-methylpiperazin-4-ium-1-yl)benzoate Openeye Name: methyl 3-benzamido-4-(4-methylpiperazin-4-ium-1-yl)benzoate CAS Name: 3-benzamido-4-(4-methyl-1-piperazin-4-iumyl)benzoic acid methyl ester IUPAC Name: methyl 3-benzamido-4-(4-methylpiperazin-4-ium-1-yl)benzoate Traditional Name: 3-benzamido-4-(4-methylpiperazin-4-ium-1-yl)benzoic acid methyl ester Formula: C20H24N3O3+ MolecularWeight: 354.42286

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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=C3

Isomeric SMILES

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

InChI

InChI=1S/C20H23N3O3/c1-22-10-12-23(13-11-22)18-9-8-16(20(25)26-2)14-17(18)21-19(24)15-6-4-3-5-7-15/h3-9,14H,10-13H2,1-2H3,(H,21,24)/p+1