5-[[1-[(2-fluorophenyl)methyl]piperidin-1-ium-4-yl]methoxy]quinazoline-2,4-diamine

Systemtic Name: 5-[[1-[(2-fluorophenyl)methyl]piperidin-1-ium-4-yl]methoxy]quinazoline-2,4-diamine Openeye Name: 5-[[1-[(2-fluorophenyl)methyl]piperidin-1-ium-4-yl]methoxy]quinazoline-2,4-diamine CAS Name: 5-[[1-[(2-fluorophenyl)methyl]-4-piperidin-1-iumyl]methoxy]quinazoline-2,4-diamine IUPAC Name: 5-[[1-[(2-fluorophenyl)methyl]piperidin-1-ium-4-yl]methoxy]quinazoline-2,4-diamine Traditional Name: [2-amino-5-[[1-(2-fluorobenzyl)piperidin-1-ium-4-yl]methoxy]quinazolin-4-yl]amine Formula: C21H25FN5O+ MolecularWeight: 382.454503

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1COC2=CC=CC3=C2C(=NC(=N3)N)N)CC4=CC=CC=C4F

Isomeric SMILES

C1C[NH+](CCC1COC2=CC=CC3=C2C(=NC(=N3)N)N)CC4=CC=CC=C4F

InChI

InChI=1S/C21H24FN5O/c22-16-5-2-1-4-15(16)12-27-10-8-14(9-11-27)13-28-18-7-3-6-17-19(18)20(23)26-21(24)25-17/h1-7,14H,8-13H2,(H4,23,24,25,26)/p+1