butyl-[4-[[2-(4-chlorophenyl)phenyl]methyl]piperazin-1-yl]-hexylsulfonyl-methyl-azanium

Systemtic Name: butyl-[4-[[2-(4-chlorophenyl)phenyl]methyl]piperazin-1-yl]-hexylsulfonyl-methyl-azanium Openeye Name: butyl-[4-[[2-(4-chlorophenyl)phenyl]methyl]piperazin-1-yl]-hexylsulfonyl-methyl-ammonium CAS Name: butyl-[4-[[2-(4-chlorophenyl)phenyl]methyl]-1-piperazinyl]-hexylsulfonyl-methylammonium IUPAC Name: butyl-[4-[[2-(4-chlorophenyl)phenyl]methyl]piperazin-1-yl]-hexylsulfonyl-methylazanium Traditional Name: butyl-[4-[2-(4-chlorophenyl)benzyl]piperazino]-hexylsulfonyl-methyl-ammonium Formula: C28H43ClN3O2S+ MolecularWeight: 521.17792

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCS(=O)(=O)[N+](C)(CCCC)N1CCN(CC1)CC2=CC=CC=C2C3=CC=C(C=C3)Cl

Isomeric SMILES

CCCCCCS(=O)(=O)[N+](C)(CCCC)N1CCN(CC1)CC2=CC=CC=C2C3=CC=C(C=C3)Cl

InChI

InChI=1S/C28H43ClN3O2S/c1-4-6-8-11-23-35(33,34)32(3,22-7-5-2)31-20-18-30(19-21-31)24-26-12-9-10-13-28(26)25-14-16-27(29)17-15-25/h9-10,12-17H,4-8,11,18-24H2,1-3H3/q+1