[3-(2,5-ditert-butylphenoxy)-4-hexadecoxy-1-methyl-quinolin-1-ium-2-yl]-oxidanyl-oxidanylidene-phosphanium

Systemtic Name: [3-(2,5-ditert-butylphenoxy)-4-hexadecoxy-1-methyl-quinolin-1-ium-2-yl]-oxidanyl-oxidanylidene-phosphanium Openeye Name: [3-(2,5-ditert-butylphenoxy)-4-hexadecoxy-1-methyl-quinolin-1-ium-2-yl]-hydroxy-oxo-phosphonium CAS Name: [3-(2,5-ditert-butylphenoxy)-4-hexadecoxy-1-methyl-2-quinolin-1-iumyl]-hydroxy-oxophosphonium IUPAC Name: [3-(2,5-ditert-butylphenoxy)-4-hexadecoxy-1-methylquinolin-1-ium-2-yl]-hydroxy-oxophosphanium Traditional Name: [4-cetyloxy-3-(2,5-ditert-butylphenoxy)-1-methyl-quinolin-1-ium-2-yl]-hydroxy-keto-phosphonium Formula: C40H62NO4P+2 MolecularWeight: 651.898341

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC1=C(C(=[N+](C2=CC=CC=C21)C)[P+](=O)O)OC3=C(C=CC(=C3)C(C)(C)C)C(C)(C)C

Isomeric SMILES

CCCCCCCCCCCCCCCCOC1=C(C(=[N+](C2=CC=CC=C21)C)[P+](=O)O)OC3=C(C=CC(=C3)C(C)(C)C)C(C)(C)C

InChI

InChI=1S/C40H61NO4P/c1-9-10-11-12-13-14-15-16-17-18-19-20-21-24-29-44-36-32-25-22-23-26-34(32)41(8)38(46(42)43)37(36)45-35-30-31(39(2,3)4)27-28-33(35)40(5,6)7/h22-23,25-28,30H,9-21,24,29H2,1-8H3/q+1/p+1