tetradecan-2-ylazanium; trimethyl-(phenylmethyl)azanium; dichloride

Systemtic Name: tetradecan-2-ylazanium; trimethyl-(phenylmethyl)azanium; dichloride Openeye Name: benzyl(trimethyl)ammonium; 1-methyltridecylammonium; dichloride CAS Name: tetradecan-2-ylammonium; trimethyl-(phenylmethyl)ammonium; dichloride IUPAC Name: benzyl(trimethyl)azanium; tetradecan-2-ylazanium; dichloride Traditional Name: benzyl(trimethyl)ammonium; 1-methyltridecylammonium; dichloride Formula: C24H48Cl2N2 MolecularWeight: 435.55732

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC(C)[NH3+].C[N+](C)(C)CC1=CC=CC=C1.[Cl-].[Cl-]

Isomeric SMILES

CCCCCCCCCCCCC(C)[NH3+].C[N+](C)(C)CC1=CC=CC=C1.[Cl-].[Cl-]

InChI

InChI=1S/C14H31N.C10H16N.2ClH/c1-3-4-5-6-7-8-9-10-11-12-13-14(2)15;1-11(2,3)9-10-7-5-4-6-8-10;;/h14H,3-13,15H2,1-2H3;4-8H,9H2,1-3H3;2*1H/q;+1;;/p-1