4-(4-ethylpiperazin-4-ium-1-yl)-2-(4-nitrophenyl)quinazoline chloride

Systemtic Name: 4-(4-ethylpiperazin-4-ium-1-yl)-2-(4-nitrophenyl)quinazoline chloride Openeye Name: 4-(4-ethylpiperazin-4-ium-1-yl)-2-(4-nitrophenyl)quinazoline chloride CAS Name: 4-(4-ethyl-1-piperazin-4-iumyl)-2-(4-nitrophenyl)quinazoline chloride IUPAC Name: 4-(4-ethylpiperazin-4-ium-1-yl)-2-(4-nitrophenyl)quinazoline chloride Traditional Name: 4-(4-ethylpiperazin-4-ium-1-yl)-2-(4-nitrophenyl)quinazoline chloride Formula: C20H22ClN5O2 MolecularWeight: 399.87398

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=NC(=NC3=CC=CC=C32)C4=CC=C(C=C4)[N+](=O)[O-].[Cl-]

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=NC(=NC3=CC=CC=C32)C4=CC=C(C=C4)[N+](=O)[O-].[Cl-]

InChI

InChI=1S/C20H21N5O2.ClH/c1-2-23-11-13-24(14-12-23)20-17-5-3-4-6-18(17)21-19(22-20)15-7-9-16(10-8-15)25(26)27;/h3-10H,2,11-14H2,1H3;1H