methyl 4-(4-methylpiperazin-4-ium-1-yl)-3-[(3,4,5-trimethoxyphenyl)carbonylamino]benzoate

Systemtic Name: methyl 4-(4-methylpiperazin-4-ium-1-yl)-3-[(3,4,5-trimethoxyphenyl)carbonylamino]benzoate Openeye Name: methyl 4-(4-methylpiperazin-4-ium-1-yl)-3-[(3,4,5-trimethoxybenzoyl)amino]benzoate CAS Name: 4-(4-methyl-1-piperazin-4-iumyl)-3-[[oxo-(3,4,5-trimethoxyphenyl)methyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-(4-methylpiperazin-4-ium-1-yl)-3-[(3,4,5-trimethoxybenzoyl)amino]benzoate Traditional Name: 4-(4-methylpiperazin-4-ium-1-yl)-3-[(3,4,5-trimethoxybenzoyl)amino]benzoic acid methyl ester Formula: C23H30N3O6+ MolecularWeight: 444.5008

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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(=C(C(=C3)OC)OC)OC

Isomeric SMILES

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

InChI

InChI=1S/C23H29N3O6/c1-25-8-10-26(11-9-25)18-7-6-15(23(28)32-5)12-17(18)24-22(27)16-13-19(29-2)21(31-4)20(14-16)30-3/h6-7,12-14H,8-11H2,1-5H3,(H,24,27)/p+1