N-ethyl-N-[2-(2-methylphenyl)imidazo[2,1-a]isoquinolin-4-ium-4-yl]-3-methylsulfanyl-propanamide

Systemtic Name: N-ethyl-N-[2-(2-methylphenyl)imidazo[2,1-a]isoquinolin-4-ium-4-yl]-3-methylsulfanyl-propanamide Openeye Name: N-ethyl-3-methylsulfanyl-N-[2-(o-tolyl)imidazo[2,1-a]isoquinolin-4-ium-4-yl]propanamide CAS Name: N-ethyl-N-[2-(2-methylphenyl)-4-imidazo[2,1-a]isoquinolin-4-iumyl]-3-(methylthio)propanamide IUPAC Name: N-ethyl-N-[2-(2-methylphenyl)imidazo[2,1-a]isoquinolin-4-ium-4-yl]-3-methylsulfanylpropanamide Traditional Name: N-ethyl-3-(methylthio)-N-[2-(o-tolyl)imidaz[2,1-a]isoquinolin-4-ium-4-yl]propionamide Formula: C24H26N3OS+ MolecularWeight: 404.54774

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C(=O)CCSC)[N+]12C=CC3=CC=CC=C3C1=NC(=C2)C4=CC=CC=C4C

Isomeric SMILES

CCN(C(=O)CCSC)[N+]12C=CC3=CC=CC=C3C1=NC(=C2)C4=CC=CC=C4C

InChI

InChI=1S/C24H26N3OS/c1-4-26(23(28)14-16-29-3)27-15-13-19-10-6-8-12-21(19)24(27)25-22(17-27)20-11-7-5-9-18(20)2/h5-13,15,17H,4,14,16H2,1-3H3/q+1