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

Systemtic Name: butyl-[4-[[2-(4-chlorophenyl)phenyl]methyl]piperazin-1-yl]-methyl-pentylsulfonyl-azanium Openeye Name: butyl-[4-[[2-(4-chlorophenyl)phenyl]methyl]piperazin-1-yl]-methyl-pentylsulfonyl-ammonium CAS Name: butyl-[4-[[2-(4-chlorophenyl)phenyl]methyl]-1-piperazinyl]-methyl-pentylsulfonylammonium IUPAC Name: butyl-[4-[[2-(4-chlorophenyl)phenyl]methyl]piperazin-1-yl]-methyl-pentylsulfonylazanium Traditional Name: amylsulfonyl-butyl-[4-[2-(4-chlorophenyl)benzyl]piperazino]-methyl-ammonium Formula: C27H41ClN3O2S+ MolecularWeight: 507.15134

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H41ClN3O2S/c1-4-6-10-22-34(32,33)31(3,21-7-5-2)30-19-17-29(18-20-30)23-25-11-8-9-12-27(25)24-13-15-26(28)16-14-24/h8-9,11-16H,4-7,10,17-23H2,1-3H3/q+1