cyclohexyl-[3-[ethyl(phenyl)amino]-2-oxidanyl-propyl]-sulfo-azanium chloride

Systemtic Name: cyclohexyl-[3-[ethyl(phenyl)amino]-2-oxidanyl-propyl]-sulfo-azanium chloride Openeye Name: cyclohexyl-[3-(N-ethylanilino)-2-hydroxy-propyl]-sulfo-ammonium chloride CAS Name: cyclohexyl-[3-(N-ethylanilino)-2-hydroxypropyl]-sulfoammonium chloride IUPAC Name: cyclohexyl-[3-(N-ethylanilino)-2-hydroxypropyl]-sulfoazanium chloride Traditional Name: cyclohexyl-[3-(N-ethylanilino)-2-hydroxy-propyl]-sulfo-ammonium chloride Formula: C17H29ClN2O4S MolecularWeight: 392.94116

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC(C[NH+](C1CCCCC1)S(=O)(=O)O)O)C2=CC=CC=C2.[Cl-]

Isomeric SMILES

CCN(CC(C[NH+](C1CCCCC1)S(=O)(=O)O)O)C2=CC=CC=C2.[Cl-]

InChI

InChI=1S/C17H28N2O4S.ClH/c1-2-18(15-9-5-3-6-10-15)13-17(20)14-19(24(21,22)23)16-11-7-4-8-12-16;/h3,5-6,9-10,16-17,20H,2,4,7-8,11-14H2,1H3,(H,21,22,23);1H