methyl-[(3-phenethyl-2-sulfanylidene-benzimidazol-1-yl)methyl]-(2-pyridin-2-ylethyl)azanium

Systemtic Name: methyl-[(3-phenethyl-2-sulfanylidene-benzimidazol-1-yl)methyl]-(2-pyridin-2-ylethyl)azanium Openeye Name: methyl-[(3-phenethyl-2-thioxo-benzimidazol-1-yl)methyl]-[2-(2-pyridyl)ethyl]ammonium CAS Name: methyl-[(3-phenethyl-2-sulfanylidene-1-benzimidazolyl)methyl]-[2-(2-pyridinyl)ethyl]ammonium IUPAC Name: methyl-[(3-phenethyl-2-sulfanylidenebenzimidazol-1-yl)methyl]-(2-pyridin-2-ylethyl)azanium Traditional Name: methyl-[(3-phenethyl-2-thioxo-benzimidazol-1-yl)methyl]-[2-(2-pyridyl)ethyl]ammonium Formula: C24H27N4S+ MolecularWeight: 403.56298

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCC1=CC=CC=N1)CN2C3=CC=CC=C3N(C2=S)CCC4=CC=CC=C4

Isomeric SMILES

C[NH+](CCC1=CC=CC=N1)CN2C3=CC=CC=C3N(C2=S)CCC4=CC=CC=C4

InChI

InChI=1S/C24H26N4S/c1-26(17-15-21-11-7-8-16-25-21)19-28-23-13-6-5-12-22(23)27(24(28)29)18-14-20-9-3-2-4-10-20/h2-13,16H,14-15,17-19H2,1H3/p+1