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

Systemtic Name: methyl 4-(4-methylpiperazin-4-ium-1-yl)-3-[(4-propan-2-ylphenyl)carbonylamino]benzoate Openeye Name: methyl 3-[(4-isopropylbenzoyl)amino]-4-(4-methylpiperazin-4-ium-1-yl)benzoate CAS Name: 4-(4-methyl-1-piperazin-4-iumyl)-3-[[oxo-(4-propan-2-ylphenyl)methyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-(4-methylpiperazin-4-ium-1-yl)-3-[(4-propan-2-ylbenzoyl)amino]benzoate Traditional Name: 3-(cumoylamino)-4-(4-methylpiperazin-4-ium-1-yl)benzoic acid methyl ester Formula: C23H30N3O3+ MolecularWeight: 396.5026

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29N3O3/c1-16(2)17-5-7-18(8-6-17)22(27)24-20-15-19(23(28)29-4)9-10-21(20)26-13-11-25(3)12-14-26/h5-10,15-16H,11-14H2,1-4H3,(H,24,27)/p+1