N-(3-morpholin-4-ium-4-ylpropyl)-2-(4-nitrophenyl)quinazolin-4-amine

Systemtic Name: N-(3-morpholin-4-ium-4-ylpropyl)-2-(4-nitrophenyl)quinazolin-4-amine Openeye Name: N-(3-morpholin-4-ium-4-ylpropyl)-2-(4-nitrophenyl)quinazolin-4-amine CAS Name: N-[3-(4-morpholin-4-iumyl)propyl]-2-(4-nitrophenyl)-4-quinazolinamine IUPAC Name: N-(3-morpholin-4-ium-4-ylpropyl)-2-(4-nitrophenyl)quinazolin-4-amine Traditional Name: 3-morpholin-4-ium-4-ylpropyl-[2-(4-nitrophenyl)quinazolin-4-yl]amine Formula: C21H24N5O3+ MolecularWeight: 394.44696

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCCNC2=NC(=NC3=CC=CC=C32)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1COCC[NH+]1CCCNC2=NC(=NC3=CC=CC=C32)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H23N5O3/c27-26(28)17-8-6-16(7-9-17)20-23-19-5-2-1-4-18(19)21(24-20)22-10-3-11-25-12-14-29-15-13-25/h1-2,4-9H,3,10-15H2,(H,22,23,24)/p+1