5-chloranyl-7-[(R)-(2,5-dimethylphenyl)-(pyridin-1-ium-2-ylamino)methyl]quinolin-8-ol

Systemtic Name: 5-chloranyl-7-[(R)-(2,5-dimethylphenyl)-(pyridin-1-ium-2-ylamino)methyl]quinolin-8-ol Openeye Name: 5-chloro-7-[(R)-(2,5-dimethylphenyl)-(pyridin-1-ium-2-ylamino)methyl]quinolin-8-ol CAS Name: 5-chloro-7-[(R)-(2,5-dimethylphenyl)-(2-pyridin-1-iumylamino)methyl]-8-quinolinol IUPAC Name: 5-chloro-7-[(R)-(2,5-dimethylphenyl)-(pyridin-1-ium-2-ylamino)methyl]quinolin-8-ol Traditional Name: 5-chloro-7-[(R)-(2,5-dimethylphenyl)-(pyridin-1-ium-2-ylamino)methyl]quinolin-8-ol Formula: C23H21ClN3O+ MolecularWeight: 390.88534

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C(C2=CC(=C3C=CC=NC3=C2O)Cl)NC4=CC=CC=[NH+]4

Isomeric SMILES

CC1=CC(=C(C=C1)C)[C@H](C2=CC(=C3C=CC=NC3=C2O)Cl)NC4=CC=CC=[NH+]4

InChI

InChI=1S/C23H20ClN3O/c1-14-8-9-15(2)17(12-14)21(27-20-7-3-4-10-25-20)18-13-19(24)16-6-5-11-26-22(16)23(18)28/h3-13,21,28H,1-2H3,(H,25,27)/p+1/t21-/m1/s1