6,7-dimethoxy-N-(3-morpholin-4-ium-4-ylpropyl)-2-phenyl-quinazolin-4-amine

Systemtic Name: 6,7-dimethoxy-N-(3-morpholin-4-ium-4-ylpropyl)-2-phenyl-quinazolin-4-amine Openeye Name: 6,7-dimethoxy-N-(3-morpholin-4-ium-4-ylpropyl)-2-phenyl-quinazolin-4-amine CAS Name: 6,7-dimethoxy-N-[3-(4-morpholin-4-iumyl)propyl]-2-phenyl-4-quinazolinamine IUPAC Name: 6,7-dimethoxy-N-(3-morpholin-4-ium-4-ylpropyl)-2-phenylquinazolin-4-amine Traditional Name: (6,7-dimethoxy-2-phenyl-quinazolin-4-yl)-(3-morpholin-4-ium-4-ylpropyl)amine Formula: C23H29N4O3+ MolecularWeight: 409.50136

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=NC(=N2)C3=CC=CC=C3)NCCC[NH+]4CCOCC4)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NC(=N2)C3=CC=CC=C3)NCCC[NH+]4CCOCC4)OC

InChI

InChI=1S/C23H28N4O3/c1-28-20-15-18-19(16-21(20)29-2)25-22(17-7-4-3-5-8-17)26-23(18)24-9-6-10-27-11-13-30-14-12-27/h3-5,7-8,15-16H,6,9-14H2,1-2H3,(H,24,25,26)/p+1