N-[[3-[(2-methyl-1H-imidazol-3-ium-3-yl)methyl]phenyl]methyl]-3-methylsulfanyl-propanamide

Systemtic Name: N-[[3-[(2-methyl-1H-imidazol-3-ium-3-yl)methyl]phenyl]methyl]-3-methylsulfanyl-propanamide Openeye Name: N-[[3-[(2-methyl-1H-imidazol-3-ium-3-yl)methyl]phenyl]methyl]-3-methylsulfanyl-propanamide CAS Name: N-[[3-[(2-methyl-1H-imidazol-3-ium-3-yl)methyl]phenyl]methyl]-3-(methylthio)propanamide IUPAC Name: N-[[3-[(2-methyl-1H-imidazol-3-ium-3-yl)methyl]phenyl]methyl]-3-methylsulfanylpropanamide Traditional Name: N-[3-[(2-methyl-1H-imidazol-3-ium-3-yl)methyl]benzyl]-3-(methylthio)propionamide Formula: C16H22N3OS+ MolecularWeight: 304.43038

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C=CN1)CC2=CC(=CC=C2)CNC(=O)CCSC

Isomeric SMILES

CC1=[N+](C=CN1)CC2=CC(=CC=C2)CNC(=O)CCSC

InChI

InChI=1S/C16H21N3OS/c1-13-17-7-8-19(13)12-15-5-3-4-14(10-15)11-18-16(20)6-9-21-2/h3-5,7-8,10H,6,9,11-12H2,1-2H3,(H,18,20)/p+1