5-chloranyl-7-[(R)-(4-ethylphenyl)-(pyridin-1-ium-2-ylamino)methyl]quinolin-8-ol

Systemtic Name: 5-chloranyl-7-[(R)-(4-ethylphenyl)-(pyridin-1-ium-2-ylamino)methyl]quinolin-8-ol Openeye Name: 5-chloro-7-[(R)-(4-ethylphenyl)-(pyridin-1-ium-2-ylamino)methyl]quinolin-8-ol CAS Name: 5-chloro-7-[(R)-(4-ethylphenyl)-(2-pyridin-1-iumylamino)methyl]-8-quinolinol IUPAC Name: 5-chloro-7-[(R)-(4-ethylphenyl)-(pyridin-1-ium-2-ylamino)methyl]quinolin-8-ol Traditional Name: 5-chloro-7-[(R)-(4-ethylphenyl)-(pyridin-1-ium-2-ylamino)methyl]quinolin-8-ol Formula: C23H21ClN3O+ MolecularWeight: 390.88534

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(C2=CC(=C3C=CC=NC3=C2O)Cl)NC4=CC=CC=[NH+]4

Isomeric SMILES

CCC1=CC=C(C=C1)[C@H](C2=CC(=C3C=CC=NC3=C2O)Cl)NC4=CC=CC=[NH+]4

InChI

InChI=1S/C23H20ClN3O/c1-2-15-8-10-16(11-9-15)21(27-20-7-3-4-12-25-20)18-14-19(24)17-6-5-13-26-22(17)23(18)28/h3-14,21,28H,2H2,1H3,(H,25,27)/p+1/t21-/m1/s1