2-methylnonadecan-2-amine; propane-1-sulfonic acid

Systemtic Name: 2-methylnonadecan-2-amine; propane-1-sulfonic acid Openeye Name: 2-methylnonadecan-2-amine; propane-1-sulfonic acid CAS Name: 2-methyl-2-nonadecanamine; 1-propanesulfonic acid IUPAC Name: 2-methylnonadecan-2-amine; propane-1-sulfonic acid Traditional Name: 1,1-dimethyloctadecylamine; propane-1-sulfonic acid Formula: C23H51NO3S MolecularWeight: 421.72094

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(C)(C)N.CCCS(=O)(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(C)(C)N.CCCS(=O)(=O)O

InChI

InChI=1S/C20H43N.C3H8O3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(2,3)21;1-2-3-7(4,5)6/h4-19,21H2,1-3H3;2-3H2,1H3,(H,4,5,6)