4-ethyl-2-[1-(1H-imidazol-5-ylmethylsulfanyl)butyl]-1-oxidanylidene-4-(triphenylmethyl)piperidin-1-ium-2-amine

Systemtic Name: 4-ethyl-2-[1-(1H-imidazol-5-ylmethylsulfanyl)butyl]-1-oxidanylidene-4-(triphenylmethyl)piperidin-1-ium-2-amine Openeye Name: 4-ethyl-2-[1-(1H-imidazol-5-ylmethylsulfanyl)butyl]-1-oxo-4-trityl-piperidin-1-ium-2-amine CAS Name: 4-ethyl-2-[1-(1H-imidazol-5-ylmethylthio)butyl]-1-oxo-4-(triphenylmethyl)-2-piperidin-1-iumamine IUPAC Name: 4-ethyl-2-[1-(1H-imidazol-5-ylmethylsulfanyl)butyl]-1-oxo-4-tritylpiperidin-1-ium-2-amine Traditional Name: [4-ethyl-2-[1-(1H-imidazol-5-ylmethylthio)butyl]-1-keto-4-trityl-piperidin-1-ium-2-yl]amine Formula: C34H41N4OS+ MolecularWeight: 553.78054

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1(CC(CC[N+]1=O)(CC)C(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)N)SCC5=CN=CN5

Isomeric SMILES

CCCC(C1(CC(CC[N+]1=O)(CC)C(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)N)SCC5=CN=CN5

InChI

InChI=1S/C34H41N4OS/c1-3-14-31(40-24-30-23-36-26-37-30)33(35)25-32(4-2,21-22-38(33)39)34(27-15-8-5-9-16-27,28-17-10-6-11-18-28)29-19-12-7-13-20-29/h5-13,15-20,23,26,31H,3-4,14,21-22,24-25,35H2,1-2H3,(H,36,37)/q+1