N-(4-ethylphenyl)-2-[[3-(phenylmethyl)-1H-imidazol-3-ium-2-yl]sulfanyl]ethanamide

Systemtic Name: N-(4-ethylphenyl)-2-[[3-(phenylmethyl)-1H-imidazol-3-ium-2-yl]sulfanyl]ethanamide Openeye Name: 2-[(3-benzyl-1H-imidazol-3-ium-2-yl)sulfanyl]-N-(4-ethylphenyl)acetamide CAS Name: N-(4-ethylphenyl)-2-[[3-(phenylmethyl)-1H-imidazol-3-ium-2-yl]thio]acetamide IUPAC Name: 2-[(3-benzyl-1H-imidazol-3-ium-2-yl)sulfanyl]-N-(4-ethylphenyl)acetamide Traditional Name: 2-[(3-benzyl-1H-imidazol-3-ium-2-yl)thio]-N-(4-ethylphenyl)acetamide Formula: C20H22N3OS+ MolecularWeight: 352.47318

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)CSC2=[N+](C=CN2)CC3=CC=CC=C3

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)CSC2=[N+](C=CN2)CC3=CC=CC=C3

InChI

InChI=1S/C20H21N3OS/c1-2-16-8-10-18(11-9-16)22-19(24)15-25-20-21-12-13-23(20)14-17-6-4-3-5-7-17/h3-13H,2,14-15H2,1H3,(H,22,24)/p+1