2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanyl-N-(1-ethylpiperidin-1-ium-4-yl)ethanamide

Systemtic Name: 2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanyl-N-(1-ethylpiperidin-1-ium-4-yl)ethanamide Openeye Name: 2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanyl-N-(1-ethylpiperidin-1-ium-4-yl)acetamide CAS Name: 2-[[1-(2,3-dimethylphenyl)-2-imidazolyl]thio]-N-(1-ethyl-4-piperidin-1-iumyl)acetamide IUPAC Name: 2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanyl-N-(1-ethylpiperidin-1-ium-4-yl)acetamide Traditional Name: 2-[[1-(2,3-dimethylphenyl)imidazol-2-yl]thio]-N-(1-ethylpiperidin-1-ium-4-yl)acetamide Formula: C20H29N4OS+ MolecularWeight: 373.53546

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCC(CC1)NC(=O)CSC2=NC=CN2C3=CC=CC(=C3C)C

Isomeric SMILES

CC[NH+]1CCC(CC1)NC(=O)CSC2=NC=CN2C3=CC=CC(=C3C)C

InChI

InChI=1S/C20H28N4OS/c1-4-23-11-8-17(9-12-23)22-19(25)14-26-20-21-10-13-24(20)18-7-5-6-15(2)16(18)3/h5-7,10,13,17H,4,8-9,11-12,14H2,1-3H3,(H,22,25)/p+1