5-[(R)-(4-ethoxyphenyl)-(pyridin-1-ium-2-ylamino)methyl]quinolin-6-ol

Systemtic Name: 5-[(R)-(4-ethoxyphenyl)-(pyridin-1-ium-2-ylamino)methyl]quinolin-6-ol Openeye Name: 5-[(R)-(4-ethoxyphenyl)-(pyridin-1-ium-2-ylamino)methyl]quinolin-6-ol CAS Name: 5-[(R)-(4-ethoxyphenyl)-(2-pyridin-1-iumylamino)methyl]-6-quinolinol IUPAC Name: 5-[(R)-(4-ethoxyphenyl)-(pyridin-1-ium-2-ylamino)methyl]quinolin-6-ol Traditional Name: 5-[(R)-p-phenetyl-(pyridin-1-ium-2-ylamino)methyl]quinolin-6-ol Formula: C23H22N3O2+ MolecularWeight: 372.43968

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(C2=C(C=CC3=C2C=CC=N3)O)NC4=CC=CC=[NH+]4

Isomeric SMILES

CCOC1=CC=C(C=C1)[C@H](C2=C(C=CC3=C2C=CC=N3)O)NC4=CC=CC=[NH+]4

InChI

InChI=1S/C23H21N3O2/c1-2-28-17-10-8-16(9-11-17)23(26-21-7-3-4-14-25-21)22-18-6-5-15-24-19(18)12-13-20(22)27/h3-15,23,27H,2H2,1H3,(H,25,26)/p+1/t23-/m1/s1