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

Systemtic Name: methyl 3-[(2-methylphenyl)carbonylamino]-4-(4-methylpiperazin-4-ium-1-yl)benzoate Openeye Name: methyl 3-[(2-methylbenzoyl)amino]-4-(4-methylpiperazin-4-ium-1-yl)benzoate CAS Name: 3-[[(2-methylphenyl)-oxomethyl]amino]-4-(4-methyl-1-piperazin-4-iumyl)benzoic acid methyl ester IUPAC Name: methyl 3-[(2-methylbenzoyl)amino]-4-(4-methylpiperazin-4-ium-1-yl)benzoate Traditional Name: 4-(4-methylpiperazin-4-ium-1-yl)-3-(o-toluoylamino)benzoic acid methyl ester Formula: C21H26N3O3+ MolecularWeight: 368.44944

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)NC2=C(C=CC(=C2)C(=O)OC)N3CC[NH+](CC3)C

Isomeric SMILES

CC1=CC=CC=C1C(=O)NC2=C(C=CC(=C2)C(=O)OC)N3CC[NH+](CC3)C

InChI

InChI=1S/C21H25N3O3/c1-15-6-4-5-7-17(15)20(25)22-18-14-16(21(26)27-3)8-9-19(18)24-12-10-23(2)11-13-24/h4-9,14H,10-13H2,1-3H3,(H,22,25)/p+1