N-[[4-(pyridin-1-ium-2-ylmethoxy)phenyl]methylideneamino]-2-quinolin-8-ylsulfanyl-ethanamide

Systemtic Name: N-[[4-(pyridin-1-ium-2-ylmethoxy)phenyl]methylideneamino]-2-quinolin-8-ylsulfanyl-ethanamide Openeye Name: N-[[4-(pyridin-1-ium-2-ylmethoxy)phenyl]methyleneamino]-2-(8-quinolylsulfanyl)acetamide CAS Name: N-[[4-(2-pyridin-1-iumylmethoxy)phenyl]methylideneamino]-2-(8-quinolinylthio)acetamide IUPAC Name: N-[[4-(pyridin-1-ium-2-ylmethoxy)phenyl]methylideneamino]-2-quinolin-8-ylsulfanylacetamide Traditional Name: N-[[4-(pyridin-1-ium-2-ylmethoxy)benzylidene]amino]-2-(8-quinolylthio)acetamide Formula: C24H21N4O2S+ MolecularWeight: 429.51414

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=[NH+]C(=C1)COC2=CC=C(C=C2)C=NNC(=O)CSC3=CC=CC4=C3N=CC=C4

Isomeric SMILES

C1=CC=[NH+]C(=C1)COC2=CC=C(C=C2)C=NNC(=O)CSC3=CC=CC4=C3N=CC=C4

InChI

InChI=1S/C24H20N4O2S/c29-23(17-31-22-8-3-5-19-6-4-14-26-24(19)22)28-27-15-18-9-11-21(12-10-18)30-16-20-7-1-2-13-25-20/h1-15H,16-17H2,(H,28,29)/p+1