methyl 4-[[4-(4-methylpiperazin-4-ium-1-yl)quinazolin-2-yl]amino]benzoate

Systemtic Name: methyl 4-[[4-(4-methylpiperazin-4-ium-1-yl)quinazolin-2-yl]amino]benzoate Openeye Name: methyl 4-[[4-(4-methylpiperazin-4-ium-1-yl)quinazolin-2-yl]amino]benzoate CAS Name: 4-[[4-(4-methyl-1-piperazin-4-iumyl)-2-quinazolinyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[4-(4-methylpiperazin-4-ium-1-yl)quinazolin-2-yl]amino]benzoate Traditional Name: 4-[[4-(4-methylpiperazin-4-ium-1-yl)quinazolin-2-yl]amino]benzoic acid methyl ester Formula: C21H24N5O2+ MolecularWeight: 378.44756

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=NC(=NC3=CC=CC=C32)NC4=CC=C(C=C4)C(=O)OC

Isomeric SMILES

C[NH+]1CCN(CC1)C2=NC(=NC3=CC=CC=C32)NC4=CC=C(C=C4)C(=O)OC

InChI

InChI=1S/C21H23N5O2/c1-25-11-13-26(14-12-25)19-17-5-3-4-6-18(17)23-21(24-19)22-16-9-7-15(8-10-16)20(27)28-2/h3-10H,11-14H2,1-2H3,(H,22,23,24)/p+1