2-[3-(cycloheptylsulfonylamino)-2-nitro-phenyl]ethyl-decyl-heptyl-methyl-azanium

Systemtic Name: 2-[3-(cycloheptylsulfonylamino)-2-nitro-phenyl]ethyl-decyl-heptyl-methyl-azanium Openeye Name: 2-[3-(cycloheptylsulfonylamino)-2-nitro-phenyl]ethyl-decyl-heptyl-methyl-ammonium CAS Name: 2-[3-(cycloheptylsulfonylamino)-2-nitrophenyl]ethyl-decyl-heptyl-methylammonium IUPAC Name: 2-[3-(cycloheptylsulfonylamino)-2-nitrophenyl]ethyl-decyl-heptyl-methylazanium Traditional Name: 2-[3-(cycloheptylsulfonylamino)-2-nitro-phenyl]ethyl-decyl-heptyl-methyl-ammonium Formula: C33H60N3O4S+ MolecularWeight: 594.9122

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC[N+](C)(CCCCCCC)CCC1=C(C(=CC=C1)NS(=O)(=O)C2CCCCCC2)[N+](=O)[O-]

Isomeric SMILES

CCCCCCCCCC[N+](C)(CCCCCCC)CCC1=C(C(=CC=C1)NS(=O)(=O)C2CCCCCC2)[N+](=O)[O-]

InChI

InChI=1S/C33H60N3O4S/c1-4-6-8-10-11-12-16-20-28-36(3,27-19-15-9-7-5-2)29-26-30-22-21-25-32(33(30)35(37)38)34-41(39,40)31-23-17-13-14-18-24-31/h21-22,25,31,34H,4-20,23-24,26-29H2,1-3H3/q+1