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

Systemtic Name: 2-methyl-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]-2-methyl-quinolin-8-ol CAS Name: 2-methyl-7-[(S)-(2-phenylmethoxyphenyl)-(2-pyridin-1-iumylamino)methyl]-8-quinolinol IUPAC Name: 2-methyl-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]-2-methyl-quinolin-8-ol Formula: C29H26N3O2+ MolecularWeight: 448.53564

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=C1)C=CC(=C2O)C(C3=CC=CC=C3OCC4=CC=CC=C4)NC5=CC=CC=[NH+]5

Isomeric SMILES

CC1=NC2=C(C=C1)C=CC(=C2O)[C@@H](C3=CC=CC=C3OCC4=CC=CC=C4)NC5=CC=CC=[NH+]5

InChI

InChI=1S/C29H25N3O2/c1-20-14-15-22-16-17-24(29(33)27(22)31-20)28(32-26-13-7-8-18-30-26)23-11-5-6-12-25(23)34-19-21-9-3-2-4-10-21/h2-18,28,33H,19H2,1H3,(H,30,32)/p+1/t28-/m1/s1