methyl-di(tricosyl)azanium; (phenylmethyl)-tridecyl-azanium; dichloride

Systemtic Name: methyl-di(tricosyl)azanium; (phenylmethyl)-tridecyl-azanium; dichloride Openeye Name: benzyl(tridecyl)ammonium; methyl-di(tricosyl)ammonium; dichloride CAS Name: methyl-di(tricosyl)ammonium; (phenylmethyl)-tridecylammonium; dichloride IUPAC Name: benzyl(tridecyl)azanium; methyl-di(tricosyl)azanium; dichloride Traditional Name: benzyl(tridecyl)ammonium; methyl-di(tricosyl)ammonium; dichloride Formula: C67H134Cl2N2 MolecularWeight: 1038.70026

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCCC[NH+](C)CCCCCCCCCCCCCCCCCCCCCCC.CCCCCCCCCCCCC[NH2+]CC1=CC=CC=C1.[Cl-].[Cl-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCCC[NH+](C)CCCCCCCCCCCCCCCCCCCCCCC.CCCCCCCCCCCCC[NH2+]CC1=CC=CC=C1.[Cl-].[Cl-]

InChI

InChI=1S/C47H97N.C20H35N.2ClH/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-42-44-46-48(3)47-45-43-41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2;1-2-3-4-5-6-7-8-9-10-11-15-18-21-19-20-16-13-12-14-17-20;;/h4-47H2,1-3H3;12-14,16-17,21H,2-11,15,18-19H2,1H3;2*1H