N-[(5-methylfuran-2-yl)methyl]-2-[[(2S)-2-pyridin-3-ylpiperidin-1-ium-1-yl]methyl]quinazolin-4-amine

Systemtic Name: N-[(5-methylfuran-2-yl)methyl]-2-[[(2S)-2-pyridin-3-ylpiperidin-1-ium-1-yl]methyl]quinazolin-4-amine Openeye Name: N-[(5-methyl-2-furyl)methyl]-2-[[(2S)-2-(3-pyridyl)piperidin-1-ium-1-yl]methyl]quinazolin-4-amine CAS Name: N-[(5-methyl-2-furanyl)methyl]-2-[[(2S)-2-(3-pyridinyl)-1-piperidin-1-iumyl]methyl]-4-quinazolinamine IUPAC Name: N-[(5-methylfuran-2-yl)methyl]-2-[[(2S)-2-pyridin-3-ylpiperidin-1-ium-1-yl]methyl]quinazolin-4-amine Traditional Name: (5-methyl-2-furyl)methyl-[2-[[(2S)-2-(3-pyridyl)piperidin-1-ium-1-yl]methyl]quinazolin-4-yl]amine Formula: C25H28N5O+ MolecularWeight: 414.52272

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)CNC2=NC(=NC3=CC=CC=C32)C[NH+]4CCCCC4C5=CN=CC=C5

Isomeric SMILES

CC1=CC=C(O1)CNC2=NC(=NC3=CC=CC=C32)C[NH+]4CCCC[C@H]4C5=CN=CC=C5

InChI

InChI=1S/C25H27N5O/c1-18-11-12-20(31-18)16-27-25-21-8-2-3-9-22(21)28-24(29-25)17-30-14-5-4-10-23(30)19-7-6-13-26-15-19/h2-3,6-9,11-13,15,23H,4-5,10,14,16-17H2,1H3,(H,27,28,29)/p+1/t23-/m0/s1