4-chloranylbenzenesulfonate; cyclohex-2-en-1-yl(trimethyl)azanium

Systemtic Name: 4-chloranylbenzenesulfonate; cyclohex-2-en-1-yl(trimethyl)azanium Openeye Name: 4-chlorobenzenesulfonate; cyclohex-2-en-1-yl(trimethyl)ammonium CAS Name: 4-chlorobenzenesulfonate; 1-cyclohex-2-enyl(trimethyl)ammonium IUPAC Name: 4-chlorobenzenesulfonate; cyclohex-2-en-1-yl(trimethyl)azanium Traditional Name: 4-chlorobesylate; cyclohex-2-en-1-yl(trimethyl)ammonium Formula: C15H22ClNO3S MolecularWeight: 331.85808

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)C1CCCC=C1.C1=CC(=CC=C1S(=O)(=O)[O-])Cl

Isomeric SMILES

C[N+](C)(C)C1CCCC=C1.C1=CC(=CC=C1S(=O)(=O)[O-])Cl

InChI

InChI=1S/C9H18N.C6H5ClO3S/c1-10(2,3)9-7-5-4-6-8-9;7-5-1-3-6(4-2-5)11(8,9)10/h5,7,9H,4,6,8H2,1-3H3;1-4H,(H,8,9,10)/q+1;/p-1