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

Systemtic Name: 7-[(R)-(4-tert-butylphenyl)-(pyridin-1-ium-2-ylamino)methyl]quinolin-8-ol Openeye Name: 7-[(R)-(4-tert-butylphenyl)-(pyridin-1-ium-2-ylamino)methyl]quinolin-8-ol CAS Name: 7-[(R)-(4-tert-butylphenyl)-(2-pyridin-1-iumylamino)methyl]-8-quinolinol IUPAC Name: 7-[(R)-(4-tert-butylphenyl)-(pyridin-1-ium-2-ylamino)methyl]quinolin-8-ol Traditional Name: 7-[(R)-(4-tert-butylphenyl)-(pyridin-1-ium-2-ylamino)methyl]quinolin-8-ol Formula: C25H26N3O+ MolecularWeight: 384.49344

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(C2=C(C3=C(C=CC=N3)C=C2)O)NC4=CC=CC=[NH+]4

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)[C@H](C2=C(C3=C(C=CC=N3)C=C2)O)NC4=CC=CC=[NH+]4

InChI

InChI=1S/C25H25N3O/c1-25(2,3)19-12-9-18(10-13-19)22(28-21-8-4-5-15-26-21)20-14-11-17-7-6-16-27-23(17)24(20)29/h4-16,22,29H,1-3H3,(H,26,28)/p+1/t22-/m1/s1