4-chloranylbenzenesulfonate; dimethyl-(2-phenoxyethyl)-(thiophen-2-ylmethyl)azanium

Systemtic Name: 4-chloranylbenzenesulfonate; dimethyl-(2-phenoxyethyl)-(thiophen-2-ylmethyl)azanium Openeye Name: 4-chlorobenzenesulfonate; dimethyl-(2-phenoxyethyl)-(2-thienylmethyl)ammonium CAS Name: 4-chlorobenzenesulfonate; dimethyl-(2-phenoxyethyl)-(thiophen-2-ylmethyl)ammonium IUPAC Name: 4-chlorobenzenesulfonate; dimethyl-(2-phenoxyethyl)-(thiophen-2-ylmethyl)azanium Traditional Name: 4-chlorobesylate; dimethyl-(2-phenoxyethyl)-(2-thenyl)ammonium Formula: C21H24ClNO4S2 MolecularWeight: 454.00256

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(CCOC1=CC=CC=C1)CC2=CC=CS2.C1=CC(=CC=C1S(=O)(=O)[O-])Cl

Isomeric SMILES

C[N+](C)(CCOC1=CC=CC=C1)CC2=CC=CS2.C1=CC(=CC=C1S(=O)(=O)[O-])Cl

InChI

InChI=1S/C15H20NOS.C6H5ClO3S/c1-16(2,13-15-9-6-12-18-15)10-11-17-14-7-4-3-5-8-14;7-5-1-3-6(4-2-5)11(8,9)10/h3-9,12H,10-11,13H2,1-2H3;1-4H,(H,8,9,10)/q+1;/p-1