[1-(3-ethylphenyl)-5-(2-methylnaphthalen-1-yl)pentyl]-dimethyl-azanium; hydrogen phosphate

Systemtic Name: [1-(3-ethylphenyl)-5-(2-methylnaphthalen-1-yl)pentyl]-dimethyl-azanium; hydrogen phosphate Openeye Name: [1-(3-ethylphenyl)-5-(2-methyl-1-naphthyl)pentyl]-dimethyl-ammonium; hydrogen phosphate CAS Name: [1-(3-ethylphenyl)-5-(2-methyl-1-naphthalenyl)pentyl]-dimethylammonium; hydrogen phosphate IUPAC Name: [1-(3-ethylphenyl)-5-(2-methylnaphthalen-1-yl)pentyl]-dimethylazanium; hydrogen phosphate Traditional Name: [1-(3-ethylphenyl)-5-(2-methyl-1-naphthyl)pentyl]-dimethyl-ammonium; hydrogen phosphate Formula: C52H69N2O4P MolecularWeight: 817.089021

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC=C1)C(CCCCC2=C(C=CC3=CC=CC=C32)C)[NH+](C)C.CCC1=CC(=CC=C1)C(CCCCC2=C(C=CC3=CC=CC=C32)C)[NH+](C)C.OP(=O)([O-])[O-]

Isomeric SMILES

CCC1=CC(=CC=C1)C(CCCCC2=C(C=CC3=CC=CC=C32)C)[NH+](C)C.CCC1=CC(=CC=C1)C(CCCCC2=C(C=CC3=CC=CC=C32)C)[NH+](C)C.OP(=O)([O-])[O-]

InChI

InChI=1S/2C26H33N.H3O4P/c2*1-5-21-11-10-13-23(19-21)26(27(3)4)16-9-8-14-24-20(2)17-18-22-12-6-7-15-25(22)24;1-5(2,3)4/h2*6-7,10-13,15,17-19,26H,5,8-9,14,16H2,1-4H3;(H3,1,2,3,4)