sodium; dimethyl-(phenylmethyl)-[2-[2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy]ethyl]azanium; 3,8-dimethyl-5-propan-2-yl-azulene-1-sulfonate; chloride

Systemtic Name: sodium; dimethyl-(phenylmethyl)-[2-[2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy]ethyl]azanium; 3,8-dimethyl-5-propan-2-yl-azulene-1-sulfonate; chloride Openeye Name: sodium; benzyl-dimethyl-[2-[2-[4-(1,1,3,3-tetramethylbutyl)phenoxy]ethoxy]ethyl]ammonium; 5-isopropyl-3,8-dimethyl-azulene-1-sulfonate; chloride CAS Name: sodium; dimethyl-(phenylmethyl)-[2-[2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy]ethyl]ammonium; 3,8-dimethyl-5-propan-2-yl-1-azulenesulfonate; chloride IUPAC Name: sodium; benzyl-dimethyl-[2-[2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy]ethyl]azanium; 3,8-dimethyl-5-propan-2-ylazulene-1-sulfonate; chloride Traditional Name: sodium; benzyl-dimethyl-[2-[2-[4-(1,1,3,3-tetramethylbutyl)phenoxy]ethoxy]ethyl]ammonium; 5-isopropyl-3,8-dimethyl-azulene-1-sulfonate; chloride Formula: C42H59ClNNaO5S MolecularWeight: 748.42933

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC(=C2C=C(C=C1)C(C)C)C)S(=O)(=O)[O-].CC(C)(C)CC(C)(C)C1=CC=C(C=C1)OCCOCC[N+](C)(C)CC2=CC=CC=C2.[Na+].[Cl-]

Isomeric SMILES

CC1=C2C(=CC(=C2C=C(C=C1)C(C)C)C)S(=O)(=O)[O-].CC(C)(C)CC(C)(C)C1=CC=C(C=C1)OCCOCC[N+](C)(C)CC2=CC=CC=C2.[Na+].[Cl-]

InChI

InChI=1S/C27H42NO2.C15H18O3S.ClH.Na/c1-26(2,3)22-27(4,5)24-13-15-25(16-14-24)30-20-19-29-18-17-28(6,7)21-23-11-9-8-10-12-23;1-9(2)12-6-5-10(3)15-13(8-12)11(4)7-14(15)19(16,17)18;;/h8-16H,17-22H2,1-7H3;5-9H,1-4H3,(H,16,17,18);1H;/q+1;;;+1/p-2