[7-cyano-1,7-bis(3-methoxyphenyl)nonadecan-3-yl]azanium chloride

Systemtic Name: [7-cyano-1,7-bis(3-methoxyphenyl)nonadecan-3-yl]azanium chloride Openeye Name: [5-cyano-5-(3-methoxyphenyl)-1-[2-(3-methoxyphenyl)ethyl]heptadecyl]ammonium chloride CAS Name: [7-cyano-1,7-bis(3-methoxyphenyl)nonadecan-3-yl]ammonium chloride IUPAC Name: [7-cyano-1,7-bis(3-methoxyphenyl)nonadecan-3-yl]azanium chloride Traditional Name: [5-cyano-5-(3-methoxyphenyl)-1-[2-(3-methoxyphenyl)ethyl]heptadecyl]ammonium chloride Formula: C34H53ClN2O2 MolecularWeight: 557.24982

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC(CCCC(CCC1=CC(=CC=C1)OC)[NH3+])(C#N)C2=CC(=CC=C2)OC.[Cl-]

Isomeric SMILES

CCCCCCCCCCCCC(CCCC(CCC1=CC(=CC=C1)OC)[NH3+])(C#N)C2=CC(=CC=C2)OC.[Cl-]

InChI

InChI=1S/C34H52N2O2.ClH/c1-4-5-6-7-8-9-10-11-12-13-24-34(28-35,30-18-15-21-33(27-30)38-3)25-16-19-31(36)23-22-29-17-14-20-32(26-29)37-2;/h14-15,17-18,20-21,26-27,31H,4-13,16,19,22-25,36H2,1-3H3;1H