7-[(S)-(4-tert-butylphenyl)-(pyridin-1-ium-2-ylamino)methyl]-2-methyl-quinolin-8-ol

Systemtic Name: 7-[(S)-(4-tert-butylphenyl)-(pyridin-1-ium-2-ylamino)methyl]-2-methyl-quinolin-8-ol Openeye Name: 7-[(S)-(4-tert-butylphenyl)-(pyridin-1-ium-2-ylamino)methyl]-2-methyl-quinolin-8-ol CAS Name: 7-[(S)-(4-tert-butylphenyl)-(2-pyridin-1-iumylamino)methyl]-2-methyl-8-quinolinol IUPAC Name: 7-[(S)-(4-tert-butylphenyl)-(pyridin-1-ium-2-ylamino)methyl]-2-methylquinolin-8-ol Traditional Name: 7-[(S)-(4-tert-butylphenyl)-(pyridin-1-ium-2-ylamino)methyl]-2-methyl-quinolin-8-ol Formula: C26H28N3O+ MolecularWeight: 398.52002

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=C1)C=CC(=C2O)C(C3=CC=C(C=C3)C(C)(C)C)NC4=CC=CC=[NH+]4

Isomeric SMILES

CC1=NC2=C(C=C1)C=CC(=C2O)[C@H](C3=CC=C(C=C3)C(C)(C)C)NC4=CC=CC=[NH+]4

InChI

InChI=1S/C26H27N3O/c1-17-8-9-19-12-15-21(25(30)24(19)28-17)23(29-22-7-5-6-16-27-22)18-10-13-20(14-11-18)26(2,3)4/h5-16,23,30H,1-4H3,(H,27,29)/p+1/t23-/m0/s1