N-cyclopropyl-4-methyl-3-[2-(2-morpholin-4-ium-4-ylethylamino)quinazolin-6-yl]benzamide

Systemtic Name: N-cyclopropyl-4-methyl-3-[2-(2-morpholin-4-ium-4-ylethylamino)quinazolin-6-yl]benzamide Openeye Name: N-cyclopropyl-4-methyl-3-[2-(2-morpholin-4-ium-4-ylethylamino)quinazolin-6-yl]benzamide CAS Name: N-cyclopropyl-4-methyl-3-[2-[2-(4-morpholin-4-iumyl)ethylamino]-6-quinazolinyl]benzamide IUPAC Name: N-cyclopropyl-4-methyl-3-[2-(2-morpholin-4-ium-4-ylethylamino)quinazolin-6-yl]benzamide Traditional Name: N-cyclopropyl-4-methyl-3-[2-(2-morpholin-4-ium-4-ylethylamino)quinazolin-6-yl]benzamide Formula: C25H30N5O2+ MolecularWeight: 432.538

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC2CC2)C3=CC4=CN=C(N=C4C=C3)NCC[NH+]5CCOCC5

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC2CC2)C3=CC4=CN=C(N=C4C=C3)NCC[NH+]5CCOCC5

InChI

InChI=1S/C25H29N5O2/c1-17-2-3-19(24(31)28-21-5-6-21)15-22(17)18-4-7-23-20(14-18)16-27-25(29-23)26-8-9-30-10-12-32-13-11-30/h2-4,7,14-16,21H,5-6,8-13H2,1H3,(H,28,31)(H,26,27,29)/p+1