1,3-benzodioxol-5-ylmethyl-[2-(4-chlorophenyl)sulfonylethyl]-cyclopentyl-azanium

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-[2-(4-chlorophenyl)sulfonylethyl]-cyclopentyl-azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-[2-(4-chlorophenyl)sulfonylethyl]-cyclopentyl-ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-[2-(4-chlorophenyl)sulfonylethyl]-cyclopentylammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-[2-(4-chlorophenyl)sulfonylethyl]-cyclopentylazanium Traditional Name: 2-(4-chlorophenyl)sulfonylethyl-cyclopentyl-piperonyl-ammonium Formula: C21H25ClNO4S+ MolecularWeight: 422.9455

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)[NH+](CCS(=O)(=O)C2=CC=C(C=C2)Cl)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CCC(C1)[NH+](CCS(=O)(=O)C2=CC=C(C=C2)Cl)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H24ClNO4S/c22-17-6-8-19(9-7-17)28(24,25)12-11-23(18-3-1-2-4-18)14-16-5-10-20-21(13-16)27-15-26-20/h5-10,13,18H,1-4,11-12,14-15H2/p+1