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

Systemtic Name: methyl 4-(4-methylpiperazin-4-ium-1-yl)-3-[(3-propan-2-yloxyphenyl)carbonylamino]benzoate Openeye Name: methyl 3-[(3-isopropoxybenzoyl)amino]-4-(4-methylpiperazin-4-ium-1-yl)benzoate CAS Name: 4-(4-methyl-1-piperazin-4-iumyl)-3-[[oxo-(3-propan-2-yloxyphenyl)methyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-(4-methylpiperazin-4-ium-1-yl)-3-[(3-propan-2-yloxybenzoyl)amino]benzoate Traditional Name: 3-[(3-isopropoxybenzoyl)amino]-4-(4-methylpiperazin-4-ium-1-yl)benzoic acid methyl ester Formula: C23H30N3O4+ MolecularWeight: 412.502

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=CC(=C1)C(=O)NC2=C(C=CC(=C2)C(=O)OC)N3CC[NH+](CC3)C

Isomeric SMILES

CC(C)OC1=CC=CC(=C1)C(=O)NC2=C(C=CC(=C2)C(=O)OC)N3CC[NH+](CC3)C

InChI

InChI=1S/C23H29N3O4/c1-16(2)30-19-7-5-6-17(14-19)22(27)24-20-15-18(23(28)29-4)8-9-21(20)26-12-10-25(3)11-13-26/h5-9,14-16H,10-13H2,1-4H3,(H,24,27)/p+1