N'-[2-(4-methylpiperazin-4-ium-1-yl)quinazolin-4-yl]-N-(4-nitrophenyl)ethane-1,2-diamine

Systemtic Name: N'-[2-(4-methylpiperazin-4-ium-1-yl)quinazolin-4-yl]-N-(4-nitrophenyl)ethane-1,2-diamine Openeye Name: N'-[2-(4-methylpiperazin-4-ium-1-yl)quinazolin-4-yl]-N-(4-nitrophenyl)ethane-1,2-diamine CAS Name: N'-[2-(4-methyl-1-piperazin-4-iumyl)-4-quinazolinyl]-N-(4-nitrophenyl)ethane-1,2-diamine IUPAC Name: N'-[2-(4-methylpiperazin-4-ium-1-yl)quinazolin-4-yl]-N-(4-nitrophenyl)ethane-1,2-diamine Traditional Name: [2-(4-methylpiperazin-4-ium-1-yl)quinazolin-4-yl]-[2-(4-nitroanilino)ethyl]amine Formula: C21H26N7O2+ MolecularWeight: 408.47684

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=NC3=CC=CC=C3C(=N2)NCCNC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C[NH+]1CCN(CC1)C2=NC3=CC=CC=C3C(=N2)NCCNC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H25N7O2/c1-26-12-14-27(15-13-26)21-24-19-5-3-2-4-18(19)20(25-21)23-11-10-22-16-6-8-17(9-7-16)28(29)30/h2-9,22H,10-15H2,1H3,(H,23,24,25)/p+1