2,3-bis(3-methylbutyl)naphthalen-1-ol; 2-ethoxyethyl-naphthalen-1-yl-dipentyl-azanium; chloride

Systemtic Name: 2,3-bis(3-methylbutyl)naphthalen-1-ol; 2-ethoxyethyl-naphthalen-1-yl-dipentyl-azanium; chloride Openeye Name: 2,3-diisopentylnaphthalen-1-ol; 2-ethoxyethyl-(1-naphthyl)-dipentyl-ammonium; chloride CAS Name: 2,3-bis(3-methylbutyl)-1-naphthalenol; 2-ethoxyethyl-(1-naphthalenyl)-dipentylammonium; chloride IUPAC Name: 2,3-bis(3-methylbutyl)naphthalen-1-ol; 2-ethoxyethyl-naphthalen-1-yl-dipentylazanium; chloride Traditional Name: diamyl-(2-ethoxyethyl)-(1-naphthyl)ammonium; 2,3-diisoamyl-1-naphthol; chloride Formula: C44H66ClNO2 MolecularWeight: 676.45334

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC[N+](CCCCC)(CCOCC)C1=CC=CC2=CC=CC=C21.CC(C)CCC1=CC2=CC=CC=C2C(=C1CCC(C)C)O.[Cl-]

Isomeric SMILES

CCCCC[N+](CCCCC)(CCOCC)C1=CC=CC2=CC=CC=C21.CC(C)CCC1=CC2=CC=CC=C2C(=C1CCC(C)C)O.[Cl-]

InChI

InChI=1S/C24H38NO.C20H28O.ClH/c1-4-7-11-18-25(19-12-8-5-2,20-21-26-6-3)24-17-13-15-22-14-9-10-16-23(22)24;1-14(2)9-11-17-13-16-7-5-6-8-18(16)20(21)19(17)12-10-15(3)4;/h9-10,13-17H,4-8,11-12,18-21H2,1-3H3;5-8,13-15,21H,9-12H2,1-4H3;1H/q+1;;/p-1