[4-[7-(4-butan-2-ylphenyl)octan-3-yl]phenyl]methyl-trimethyl-azanium

Systemtic Name: [4-[7-(4-butan-2-ylphenyl)octan-3-yl]phenyl]methyl-trimethyl-azanium Openeye Name: [4-[1-ethyl-5-(4-sec-butylphenyl)hexyl]phenyl]methyl-trimethyl-ammonium CAS Name: [4-[7-(4-butan-2-ylphenyl)octan-3-yl]phenyl]methyl-trimethylammonium IUPAC Name: [4-[7-(4-butan-2-ylphenyl)octan-3-yl]phenyl]methyl-trimethylazanium Traditional Name: [4-[1-ethyl-5-(4-sec-butylphenyl)hexyl]benzyl]-trimethyl-ammonium Formula: C28H44N+ MolecularWeight: 394.65566

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)C(C)CCCC(CC)C2=CC=C(C=C2)C[N+](C)(C)C

Isomeric SMILES

CCC(C)C1=CC=C(C=C1)C(C)CCCC(CC)C2=CC=C(C=C2)C[N+](C)(C)C

InChI

InChI=1S/C28H44N/c1-8-22(3)26-17-19-27(20-18-26)23(4)11-10-12-25(9-2)28-15-13-24(14-16-28)21-29(5,6)7/h13-20,22-23,25H,8-12,21H2,1-7H3/q+1