7-[(S)-(4-methoxy-3-methyl-phenyl)-(pyridin-1-ium-2-ylamino)methyl]-2-methyl-quinolin-8-ol

Systemtic Name: 7-[(S)-(4-methoxy-3-methyl-phenyl)-(pyridin-1-ium-2-ylamino)methyl]-2-methyl-quinolin-8-ol Openeye Name: 7-[(S)-(4-methoxy-3-methyl-phenyl)-(pyridin-1-ium-2-ylamino)methyl]-2-methyl-quinolin-8-ol CAS Name: 7-[(S)-(4-methoxy-3-methylphenyl)-(2-pyridin-1-iumylamino)methyl]-2-methyl-8-quinolinol IUPAC Name: 7-[(S)-(4-methoxy-3-methylphenyl)-(pyridin-1-ium-2-ylamino)methyl]-2-methylquinolin-8-ol Traditional Name: 7-[(S)-(4-methoxy-3-methyl-phenyl)-(pyridin-1-ium-2-ylamino)methyl]-2-methyl-quinolin-8-ol Formula: C24H24N3O2+ MolecularWeight: 386.46626

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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)C)NC4=CC=CC=[NH+]4

Isomeric SMILES

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

InChI

InChI=1S/C24H23N3O2/c1-15-14-18(10-12-20(15)29-3)22(27-21-6-4-5-13-25-21)19-11-9-17-8-7-16(2)26-23(17)24(19)28/h4-14,22,28H,1-3H3,(H,25,27)/p+1/t22-/m0/s1