[(2S)-1-[[4-[(5-methylfuran-2-yl)methylamino]quinazolin-2-yl]methyl]piperidin-1-ium-2-yl]methanol

Systemtic Name: [(2S)-1-[[4-[(5-methylfuran-2-yl)methylamino]quinazolin-2-yl]methyl]piperidin-1-ium-2-yl]methanol Openeye Name: [(2S)-1-[[4-[(5-methyl-2-furyl)methylamino]quinazolin-2-yl]methyl]piperidin-1-ium-2-yl]methanol CAS Name: [(2S)-1-[[4-[(5-methyl-2-furanyl)methylamino]-2-quinazolinyl]methyl]-2-piperidin-1-iumyl]methanol IUPAC Name: [(2S)-1-[[4-[(5-methylfuran-2-yl)methylamino]quinazolin-2-yl]methyl]piperidin-1-ium-2-yl]methanol Traditional Name: [(2S)-1-[[4-[(5-methyl-2-furyl)methylamino]quinazolin-2-yl]methyl]piperidin-1-ium-2-yl]methanol Formula: C21H27N4O2+ MolecularWeight: 367.46468

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)CNC2=NC(=NC3=CC=CC=C32)C[NH+]4CCCCC4CO

Isomeric SMILES

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

InChI

InChI=1S/C21H26N4O2/c1-15-9-10-17(27-15)12-22-21-18-7-2-3-8-19(18)23-20(24-21)13-25-11-5-4-6-16(25)14-26/h2-3,7-10,16,26H,4-6,11-14H2,1H3,(H,22,23,24)/p+1/t16-/m0/s1