2-[[(3S)-3-[(4-fluoranylphenoxy)methyl]piperidin-1-ium-1-yl]methyl]-6,7-dimethoxy-quinazolin-4-amine

Systemtic Name: 2-[[(3S)-3-[(4-fluoranylphenoxy)methyl]piperidin-1-ium-1-yl]methyl]-6,7-dimethoxy-quinazolin-4-amine Openeye Name: 2-[[(3S)-3-[(4-fluorophenoxy)methyl]piperidin-1-ium-1-yl]methyl]-6,7-dimethoxy-quinazolin-4-amine CAS Name: 2-[[(3S)-3-[(4-fluorophenoxy)methyl]-1-piperidin-1-iumyl]methyl]-6,7-dimethoxy-4-quinazolinamine IUPAC Name: 2-[[(3S)-3-[(4-fluorophenoxy)methyl]piperidin-1-ium-1-yl]methyl]-6,7-dimethoxyquinazolin-4-amine Traditional Name: [2-[[(3S)-3-[(4-fluorophenoxy)methyl]piperidin-1-ium-1-yl]methyl]-6,7-dimethoxy-quinazolin-4-yl]amine Formula: C23H28FN4O3+ MolecularWeight: 427.491823

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=NC(=N2)C[NH+]3CCCC(C3)COC4=CC=C(C=C4)F)N)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NC(=N2)C[NH+]3CCC[C@@H](C3)COC4=CC=C(C=C4)F)N)OC

InChI

InChI=1S/C23H27FN4O3/c1-29-20-10-18-19(11-21(20)30-2)26-22(27-23(18)25)13-28-9-3-4-15(12-28)14-31-17-7-5-16(24)6-8-17/h5-8,10-11,15H,3-4,9,12-14H2,1-2H3,(H2,25,26,27)/p+1/t15-/m0/s1