N-(1-ethylpiperidin-1-ium-4-yl)-2-[1-(2-methylpropyl)benzimidazol-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(1-ethylpiperidin-1-ium-4-yl)-2-[1-(2-methylpropyl)benzimidazol-2-yl]sulfanyl-ethanamide Openeye Name: N-(1-ethylpiperidin-1-ium-4-yl)-2-(1-isobutylbenzimidazol-2-yl)sulfanyl-acetamide CAS Name: N-(1-ethyl-4-piperidin-1-iumyl)-2-[[1-(2-methylpropyl)-2-benzimidazolyl]thio]acetamide IUPAC Name: N-(1-ethylpiperidin-1-ium-4-yl)-2-[1-(2-methylpropyl)benzimidazol-2-yl]sulfanylacetamide Traditional Name: N-(1-ethylpiperidin-1-ium-4-yl)-2-[(1-isobutylbenzimidazol-2-yl)thio]acetamide Formula: C20H31N4OS+ MolecularWeight: 375.55134

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCC(CC1)NC(=O)CSC2=NC3=CC=CC=C3N2CC(C)C

Isomeric SMILES

CC[NH+]1CCC(CC1)NC(=O)CSC2=NC3=CC=CC=C3N2CC(C)C

InChI

InChI=1S/C20H30N4OS/c1-4-23-11-9-16(10-12-23)21-19(25)14-26-20-22-17-7-5-6-8-18(17)24(20)13-15(2)3/h5-8,15-16H,4,9-14H2,1-3H3,(H,21,25)/p+1