[4-hexadecoxy-3-(2-methoxycarbonylphenoxy)-1-methyl-quinolin-1-ium-2-yl]-oxidanyl-oxidanylidene-phosphanium

Systemtic Name: [4-hexadecoxy-3-(2-methoxycarbonylphenoxy)-1-methyl-quinolin-1-ium-2-yl]-oxidanyl-oxidanylidene-phosphanium Openeye Name: [4-hexadecoxy-3-(2-methoxycarbonylphenoxy)-1-methyl-quinolin-1-ium-2-yl]-hydroxy-oxo-phosphonium CAS Name: [4-hexadecoxy-3-(2-methoxycarbonylphenoxy)-1-methyl-2-quinolin-1-iumyl]-hydroxy-oxophosphonium IUPAC Name: [4-hexadecoxy-3-(2-methoxycarbonylphenoxy)-1-methylquinolin-1-ium-2-yl]-hydroxy-oxophosphanium Traditional Name: [3-(2-carbomethoxyphenoxy)-4-cetyloxy-1-methyl-quinolin-1-ium-2-yl]-hydroxy-keto-phosphonium Formula: C34H48NO6P+2 MolecularWeight: 597.721781

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC1=C(C(=[N+](C2=CC=CC=C21)C)[P+](=O)O)OC3=CC=CC=C3C(=O)OC

Isomeric SMILES

CCCCCCCCCCCCCCCCOC1=C(C(=[N+](C2=CC=CC=C21)C)[P+](=O)O)OC3=CC=CC=C3C(=O)OC

InChI

InChI=1S/C34H47NO6P/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-21-26-40-31-27-22-17-19-24-29(27)35(2)33(42(37)38)32(31)41-30-25-20-18-23-28(30)34(36)39-3/h17-20,22-25H,4-16,21,26H2,1-3H3/q+1/p+1