2-[5-(4-chlorophenyl)-1-(phenylmethyl)imidazol-2-yl]sulfanyl-N-(1-ethylpiperidin-1-ium-4-yl)ethanamide

Systemtic Name: 2-[5-(4-chlorophenyl)-1-(phenylmethyl)imidazol-2-yl]sulfanyl-N-(1-ethylpiperidin-1-ium-4-yl)ethanamide Openeye Name: 2-[1-benzyl-5-(4-chlorophenyl)imidazol-2-yl]sulfanyl-N-(1-ethylpiperidin-1-ium-4-yl)acetamide CAS Name: 2-[[5-(4-chlorophenyl)-1-(phenylmethyl)-2-imidazolyl]thio]-N-(1-ethyl-4-piperidin-1-iumyl)acetamide IUPAC Name: 2-[1-benzyl-5-(4-chlorophenyl)imidazol-2-yl]sulfanyl-N-(1-ethylpiperidin-1-ium-4-yl)acetamide Traditional Name: 2-[[1-benzyl-5-(4-chlorophenyl)imidazol-2-yl]thio]-N-(1-ethylpiperidin-1-ium-4-yl)acetamide Formula: C25H30ClN4OS+ MolecularWeight: 470.0499

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCC(CC1)NC(=O)CSC2=NC=C(N2CC3=CC=CC=C3)C4=CC=C(C=C4)Cl

Isomeric SMILES

CC[NH+]1CCC(CC1)NC(=O)CSC2=NC=C(N2CC3=CC=CC=C3)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C25H29ClN4OS/c1-2-29-14-12-22(13-15-29)28-24(31)18-32-25-27-16-23(20-8-10-21(26)11-9-20)30(25)17-19-6-4-3-5-7-19/h3-11,16,22H,2,12-15,17-18H2,1H3,(H,28,31)/p+1