N-[(8-oxidanylquinolin-1-ium-7-yl)-thiophen-2-yl-methyl]butanamide

Systemtic Name: N-[(8-oxidanylquinolin-1-ium-7-yl)-thiophen-2-yl-methyl]butanamide Openeye Name: N-[(8-hydroxyquinolin-1-ium-7-yl)-(2-thienyl)methyl]butanamide CAS Name: N-[(8-hydroxy-7-quinolin-1-iumyl)-thiophen-2-ylmethyl]butanamide IUPAC Name: N-[(8-hydroxyquinolin-1-ium-7-yl)-thiophen-2-ylmethyl]butanamide Traditional Name: N-[(8-hydroxyquinolin-1-ium-7-yl)-(2-thienyl)methyl]butyramide Formula: C18H19N2O2S+ MolecularWeight: 327.42066

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC(C1=C(C2=C(C=CC=[NH+]2)C=C1)O)C3=CC=CS3

Isomeric SMILES

CCCC(=O)NC(C1=C(C2=C(C=CC=[NH+]2)C=C1)O)C3=CC=CS3

InChI

InChI=1S/C18H18N2O2S/c1-2-5-15(21)20-17(14-7-4-11-23-14)13-9-8-12-6-3-10-19-16(12)18(13)22/h3-4,6-11,17,22H,2,5H2,1H3,(H,20,21)/p+1