dimethyl(dioctadecyl)azanium; dimethyl(1-phenylheptadecyl)azanium; dichloride

Systemtic Name: dimethyl(dioctadecyl)azanium; dimethyl(1-phenylheptadecyl)azanium; dichloride Openeye Name: dimethyl(dioctadecyl)ammonium; dimethyl(1-phenylheptadecyl)ammonium; dichloride CAS Name: dimethyl(dioctadecyl)ammonium; dimethyl(1-phenylheptadecyl)ammonium; dichloride IUPAC Name: dimethyl(dioctadecyl)azanium; dimethyl(1-phenylheptadecyl)azanium; dichloride Traditional Name: dimethyl(distearyl)ammonium; dimethyl(1-phenylheptadecyl)ammonium; dichloride Formula: C63H126Cl2N2 MolecularWeight: 982.59394

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC[N+](C)(C)CCCCCCCCCCCCCCCCCC.CCCCCCCCCCCCCCCCC(C1=CC=CC=C1)[NH+](C)C.[Cl-].[Cl-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCC[N+](C)(C)CCCCCCCCCCCCCCCCCC.CCCCCCCCCCCCCCCCC(C1=CC=CC=C1)[NH+](C)C.[Cl-].[Cl-]

InChI

InChI=1S/C38H80N.C25H45N.2ClH/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39(3,4)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2;1-4-5-6-7-8-9-10-11-12-13-14-15-16-20-23-25(26(2)3)24-21-18-17-19-22-24;;/h5-38H2,1-4H3;17-19,21-22,25H,4-16,20,23H2,1-3H3;2*1H/q+1;;;/p-1