2-pyridin-3-yl-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)quinazolin-4-amine

Systemtic Name: 2-pyridin-3-yl-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)quinazolin-4-amine Openeye Name: 2-(3-pyridyl)-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)quinazolin-4-amine CAS Name: 2-(3-pyridinyl)-N-(2,2,6,6-tetramethyl-4-piperidin-1-iumyl)-4-quinazolinamine IUPAC Name: 2-pyridin-3-yl-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)quinazolin-4-amine Traditional Name: [2-(3-pyridyl)quinazolin-4-yl]-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)amine Formula: C22H28N5+ MolecularWeight: 362.49122

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(CC([NH2+]1)(C)C)NC2=NC(=NC3=CC=CC=C32)C4=CN=CC=C4)C

Isomeric SMILES

CC1(CC(CC([NH2+]1)(C)C)NC2=NC(=NC3=CC=CC=C32)C4=CN=CC=C4)C

InChI

InChI=1S/C22H27N5/c1-21(2)12-16(13-22(3,4)27-21)24-20-17-9-5-6-10-18(17)25-19(26-20)15-8-7-11-23-14-15/h5-11,14,16,27H,12-13H2,1-4H3,(H,24,25,26)/p+1