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

Systemtic Name: 7-[(S)-(3-ethoxy-2-oxidanyl-phenyl)-(pyridin-1-ium-2-ylamino)methyl]-2-methyl-quinolin-8-ol Openeye Name: 7-[(S)-(3-ethoxy-2-hydroxy-phenyl)-(pyridin-1-ium-2-ylamino)methyl]-2-methyl-quinolin-8-ol CAS Name: 7-[(S)-(3-ethoxy-2-hydroxyphenyl)-(2-pyridin-1-iumylamino)methyl]-2-methyl-8-quinolinol IUPAC Name: 7-[(S)-(3-ethoxy-2-hydroxyphenyl)-(pyridin-1-ium-2-ylamino)methyl]-2-methylquinolin-8-ol Traditional Name: 7-[(S)-(3-ethoxy-2-hydroxy-phenyl)-(pyridin-1-ium-2-ylamino)methyl]-2-methyl-quinolin-8-ol Formula: C24H24N3O3+ MolecularWeight: 402.46566

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1O)C(C2=C(C3=C(C=CC(=N3)C)C=C2)O)NC4=CC=CC=[NH+]4

Isomeric SMILES

CCOC1=CC=CC(=C1O)[C@H](C2=C(C3=C(C=CC(=N3)C)C=C2)O)NC4=CC=CC=[NH+]4

InChI

InChI=1S/C24H23N3O3/c1-3-30-19-8-6-7-17(23(19)28)22(27-20-9-4-5-14-25-20)18-13-12-16-11-10-15(2)26-21(16)24(18)29/h4-14,22,28-29H,3H2,1-2H3,(H,25,27)/p+1/t22-/m1/s1