7-[(S)-(2-phenylmethoxyphenyl)-(pyridin-1-ium-2-ylamino)methyl]quinolin-8-ol

Systemtic Name: 7-[(S)-(2-phenylmethoxyphenyl)-(pyridin-1-ium-2-ylamino)methyl]quinolin-8-ol Openeye Name: 7-[(S)-(2-benzyloxyphenyl)-(pyridin-1-ium-2-ylamino)methyl]quinolin-8-ol CAS Name: 7-[(S)-(2-phenylmethoxyphenyl)-(2-pyridin-1-iumylamino)methyl]-8-quinolinol IUPAC Name: 7-[(S)-(2-phenylmethoxyphenyl)-(pyridin-1-ium-2-ylamino)methyl]quinolin-8-ol Traditional Name: 7-[(S)-(2-benzoxyphenyl)-(pyridin-1-ium-2-ylamino)methyl]quinolin-8-ol Formula: C28H24N3O2+ MolecularWeight: 434.50906

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=CC=CC=C2C(C3=C(C4=C(C=CC=N4)C=C3)O)NC5=CC=CC=[NH+]5

Isomeric SMILES

C1=CC=C(C=C1)COC2=CC=CC=C2[C@H](C3=C(C4=C(C=CC=N4)C=C3)O)NC5=CC=CC=[NH+]5

InChI

InChI=1S/C28H23N3O2/c32-28-23(16-15-21-11-8-18-30-26(21)28)27(31-25-14-6-7-17-29-25)22-12-4-5-13-24(22)33-19-20-9-2-1-3-10-20/h1-18,27,32H,19H2,(H,29,31)/p+1/t27-/m1/s1