13-(2-dodecylphenyl)pentacosan-13-ylazanium

Systemtic Name: 13-(2-dodecylphenyl)pentacosan-13-ylazanium Openeye Name: [1-dodecyl-1-(2-dodecylphenyl)tridecyl]ammonium CAS Name: 13-(2-dodecylphenyl)pentacosan-13-ylammonium IUPAC Name: 13-(2-dodecylphenyl)pentacosan-13-ylazanium Traditional Name: [1-lauryl-1-(2-laurylphenyl)tridecyl]ammonium Formula: C43H82N+ MolecularWeight: 613.11788

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=CC=CC=C1C(CCCCCCCCCCCC)(CCCCCCCCCCCC)[NH3+]

Isomeric SMILES

CCCCCCCCCCCCC1=CC=CC=C1C(CCCCCCCCCCCC)(CCCCCCCCCCCC)[NH3+]

InChI

InChI=1S/C43H81N/c1-4-7-10-13-16-19-22-25-28-31-36-41-37-32-33-38-42(41)43(44,39-34-29-26-23-20-17-14-11-8-5-2)40-35-30-27-24-21-18-15-12-9-6-3/h32-33,37-38H,4-31,34-36,39-40,44H2,1-3H3/p+1