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

Systemtic Name: 7-[(S)-(4-methoxyphenyl)-(pyridin-1-ium-2-ylamino)methyl]-2-methyl-quinolin-8-ol Openeye Name: 7-[(S)-(4-methoxyphenyl)-(pyridin-1-ium-2-ylamino)methyl]-2-methyl-quinolin-8-ol CAS Name: 7-[(S)-(4-methoxyphenyl)-(2-pyridin-1-iumylamino)methyl]-2-methyl-8-quinolinol IUPAC Name: 7-[(S)-(4-methoxyphenyl)-(pyridin-1-ium-2-ylamino)methyl]-2-methylquinolin-8-ol Traditional Name: 7-[(S)-(4-methoxyphenyl)-(pyridin-1-ium-2-ylamino)methyl]-2-methyl-quinolin-8-ol Formula: C23H22N3O2+ MolecularWeight: 372.43968

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H21N3O2/c1-15-6-7-17-10-13-19(23(27)22(17)25-15)21(26-20-5-3-4-14-24-20)16-8-11-18(28-2)12-9-16/h3-14,21,27H,1-2H3,(H,24,26)/p+1/t21-/m0/s1