dodecyl-bis(2-hydroxyethyl)-(phenylmethyl)azanium; 4-methylbenzoate

Systemtic Name: dodecyl-bis(2-hydroxyethyl)-(phenylmethyl)azanium; 4-methylbenzoate Openeye Name: benzyl-dodecyl-bis(2-hydroxyethyl)ammonium; 4-methylbenzoate CAS Name: dodecyl-bis(2-hydroxyethyl)-(phenylmethyl)ammonium; 4-methylbenzoate IUPAC Name: benzyl-dodecyl-bis(2-hydroxyethyl)azanium; 4-methylbenzoate Traditional Name: benzyl-bis(2-hydroxyethyl)-lauryl-ammonium; 4-methylbenzoate Formula: C31H49NO4 MolecularWeight: 499.72506

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC[N+](CCO)(CCO)CC1=CC=CC=C1.CC1=CC=C(C=C1)C(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCC[N+](CCO)(CCO)CC1=CC=CC=C1.CC1=CC=C(C=C1)C(=O)[O-]

InChI

InChI=1S/C23H42NO2.C8H8O2/c1-2-3-4-5-6-7-8-9-10-14-17-24(18-20-25,19-21-26)22-23-15-12-11-13-16-23;1-6-2-4-7(5-3-6)8(9)10/h11-13,15-16,25-26H,2-10,14,17-22H2,1H3;2-5H,1H3,(H,9,10)/q+1;/p-1