heptyl-[5-(4-methylsulfonylphenyl)-4-phenyl-1H-imidazol-2-yl]-octyl-[pentyl(sulfanyl)carbamoyl]azanium

Systemtic Name: heptyl-[5-(4-methylsulfonylphenyl)-4-phenyl-1H-imidazol-2-yl]-octyl-[pentyl(sulfanyl)carbamoyl]azanium Openeye Name: heptyl-[5-(4-methylsulfonylphenyl)-4-phenyl-1H-imidazol-2-yl]-octyl-[pentyl(sulfanyl)carbamoyl]ammonium CAS Name: heptyl-[[mercapto(pentyl)amino]-oxomethyl]-[5-(4-methylsulfonylphenyl)-4-phenyl-1H-imidazol-2-yl]-octylammonium IUPAC Name: heptyl-[5-(4-methylsulfonylphenyl)-4-phenyl-1H-imidazol-2-yl]-octyl-[pentyl(sulfanyl)carbamoyl]azanium Traditional Name: [amyl(mercapto)carbamoyl]-heptyl-[5-(4-mesylphenyl)-4-phenyl-1H-imidazol-2-yl]-octyl-ammonium Formula: C37H57N4O3S2+ MolecularWeight: 670.00348

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC[N+](CCCCCCC)(C1=NC(=C(N1)C2=CC=C(C=C2)S(=O)(=O)C)C3=CC=CC=C3)C(=O)N(CCCCC)S

Isomeric SMILES

CCCCCCCC[N+](CCCCCCC)(C1=NC(=C(N1)C2=CC=C(C=C2)S(=O)(=O)C)C3=CC=CC=C3)C(=O)N(CCCCC)S

InChI

InChI=1S/C37H57N4O3S2/c1-5-8-11-13-15-21-30-41(29-20-14-12-9-6-2,37(42)40(45)28-19-10-7-3)36-38-34(31-22-17-16-18-23-31)35(39-36)32-24-26-33(27-25-32)46(4,43)44/h16-18,22-27,45H,5-15,19-21,28-30H2,1-4H3,(H,38,39)/q+1