N-[1-[(3-ethyl-2-sulfanylidene-benzimidazol-1-yl)methyl]piperidin-1-ium-4-yl]benzamide

Systemtic Name: N-[1-[(3-ethyl-2-sulfanylidene-benzimidazol-1-yl)methyl]piperidin-1-ium-4-yl]benzamide Openeye Name: N-[1-[(3-ethyl-2-thioxo-benzimidazol-1-yl)methyl]piperidin-1-ium-4-yl]benzamide CAS Name: N-[1-[(3-ethyl-2-sulfanylidene-1-benzimidazolyl)methyl]-4-piperidin-1-iumyl]benzamide IUPAC Name: N-[1-[(3-ethyl-2-sulfanylidenebenzimidazol-1-yl)methyl]piperidin-1-ium-4-yl]benzamide Traditional Name: N-[1-[(3-ethyl-2-thioxo-benzimidazol-1-yl)methyl]piperidin-1-ium-4-yl]benzamide Formula: C22H27N4OS+ MolecularWeight: 395.54098

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=CC=CC=C2N(C1=S)C[NH+]3CCC(CC3)NC(=O)C4=CC=CC=C4

Isomeric SMILES

CCN1C2=CC=CC=C2N(C1=S)C[NH+]3CCC(CC3)NC(=O)C4=CC=CC=C4

InChI

InChI=1S/C22H26N4OS/c1-2-25-19-10-6-7-11-20(19)26(22(25)28)16-24-14-12-18(13-15-24)23-21(27)17-8-4-3-5-9-17/h3-11,18H,2,12-16H2,1H3,(H,23,27)/p+1