[1-ethyl-4-(furan-2-yl)-3-methoxy-5-methyl-2-phosphorosooxy-quinolin-1-ium-6-yl] N-octadecylcarbamate hydroxide

Systemtic Name: [1-ethyl-4-(furan-2-yl)-3-methoxy-5-methyl-2-phosphorosooxy-quinolin-1-ium-6-yl] N-octadecylcarbamate hydroxide Openeye Name: [1-ethyl-4-(2-furyl)-3-methoxy-5-methyl-2-phosphorosooxy-quinolin-1-ium-6-yl] N-octadecylcarbamate hydroxide CAS Name: N-octadecylcarbamic acid [1-ethyl-4-(2-furanyl)-3-methoxy-5-methyl-2-phosphorosooxy-6-quinolin-1-iumyl] ester hydroxide IUPAC Name: [1-ethyl-4-(furan-2-yl)-3-methoxy-5-methyl-2-phosphorosooxyquinolin-1-ium-6-yl] N-octadecylcarbamate hydroxide Traditional Name: N-stearylcarbamic acid [1-ethyl-4-(2-furyl)-3-methoxy-5-methyl-2-phosphorosooxy-quinolin-1-ium-6-yl] ester hydroxide Formula: C36H55N2O7P MolecularWeight: 658.804861

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCNC(=O)OC1=C(C2=C(C(=C([N+](=C2C=C1)CC)OP=O)OC)C3=CC=CO3)C.[OH-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCCNC(=O)OC1=C(C2=C(C(=C([N+](=C2C=C1)CC)OP=O)OC)C3=CC=CO3)C.[OH-]

InChI

InChI=1S/C36H53N2O6P.H2O/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-26-37-36(39)43-30-25-24-29-32(28(30)3)33(31-23-22-27-42-31)34(41-4)35(44-45-40)38(29)6-2;/h22-25,27H,5-21,26H2,1-4H3;1H2