2-(3-dodecyl-2-methyl-phenyl)propan-2-ylazanium

Systemtic Name: 2-(3-dodecyl-2-methyl-phenyl)propan-2-ylazanium Openeye Name: [1-(3-dodecyl-2-methyl-phenyl)-1-methyl-ethyl]ammonium CAS Name: 2-(3-dodecyl-2-methylphenyl)propan-2-ylammonium IUPAC Name: 2-(3-dodecyl-2-methylphenyl)propan-2-ylazanium Traditional Name: [1-(3-lauryl-2-methyl-phenyl)-1-methyl-ethyl]ammonium Formula: C22H40N+ MolecularWeight: 318.5597

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=C(C(=CC=C1)C(C)(C)[NH3+])C

Isomeric SMILES

CCCCCCCCCCCCC1=C(C(=CC=C1)C(C)(C)[NH3+])C

InChI

InChI=1S/C22H39N/c1-5-6-7-8-9-10-11-12-13-14-16-20-17-15-18-21(19(20)2)22(3,4)23/h15,17-18H,5-14,16,23H2,1-4H3/p+1