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

Systemtic Name: 2-(4-tert-butylphenyl)-N-(3-morpholin-4-ium-4-ylpropyl)quinazolin-4-amine Openeye Name: 2-(4-tert-butylphenyl)-N-(3-morpholin-4-ium-4-ylpropyl)quinazolin-4-amine CAS Name: 2-(4-tert-butylphenyl)-N-[3-(4-morpholin-4-iumyl)propyl]-4-quinazolinamine IUPAC Name: 2-(4-tert-butylphenyl)-N-(3-morpholin-4-ium-4-ylpropyl)quinazolin-4-amine Traditional Name: [2-(4-tert-butylphenyl)quinazolin-4-yl]-(3-morpholin-4-ium-4-ylpropyl)amine Formula: C25H33N4O+ MolecularWeight: 405.55572

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=N2)NCCC[NH+]4CCOCC4

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=N2)NCCC[NH+]4CCOCC4

InChI

InChI=1S/C25H32N4O/c1-25(2,3)20-11-9-19(10-12-20)23-27-22-8-5-4-7-21(22)24(28-23)26-13-6-14-29-15-17-30-18-16-29/h4-5,7-12H,6,13-18H2,1-3H3,(H,26,27,28)/p+1