[4-(3-ethyl-5-methyl-phenyl)-3-(2-propoxyphenyl)butyl]-methyl-azanium; hydrogen phosphate

Systemtic Name: [4-(3-ethyl-5-methyl-phenyl)-3-(2-propoxyphenyl)butyl]-methyl-azanium; hydrogen phosphate Openeye Name: [4-(3-ethyl-5-methyl-phenyl)-3-(2-propoxyphenyl)butyl]-methyl-ammonium; hydrogen phosphate CAS Name: [4-(3-ethyl-5-methylphenyl)-3-(2-propoxyphenyl)butyl]-methylammonium; hydrogen phosphate IUPAC Name: [4-(3-ethyl-5-methylphenyl)-3-(2-propoxyphenyl)butyl]-methylazanium; hydrogen phosphate Traditional Name: [4-(3-ethyl-5-methyl-phenyl)-3-(2-propoxyphenyl)butyl]-methyl-ammonium; hydrogen phosphate Formula: C46H69N2O6P MolecularWeight: 777.023621

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=CC=C1C(CC[NH2+]C)CC2=CC(=CC(=C2)CC)C.CCCOC1=CC=CC=C1C(CC[NH2+]C)CC2=CC(=CC(=C2)CC)C.OP(=O)([O-])[O-]

Isomeric SMILES

CCCOC1=CC=CC=C1C(CC[NH2+]C)CC2=CC(=CC(=C2)CC)C.CCCOC1=CC=CC=C1C(CC[NH2+]C)CC2=CC(=CC(=C2)CC)C.OP(=O)([O-])[O-]

InChI

InChI=1S/2C23H33NO.H3O4P/c2*1-5-13-25-23-10-8-7-9-22(23)21(11-12-24-4)17-20-15-18(3)14-19(6-2)16-20;1-5(2,3)4/h2*7-10,14-16,21,24H,5-6,11-13,17H2,1-4H3;(H3,1,2,3,4)