docosan-10-yl-dimethyl-(3-sulfopropyl)azanium

Systemtic Name: docosan-10-yl-dimethyl-(3-sulfopropyl)azanium Openeye Name: dimethyl-(1-nonyltridecyl)-(3-sulfopropyl)ammonium CAS Name: docosan-10-yl-dimethyl-(3-sulfopropyl)ammonium IUPAC Name: docosan-10-yl-dimethyl-(3-sulfopropyl)azanium Traditional Name: dimethyl-(1-nonyltridecyl)-(3-sulfopropyl)ammonium Formula: C27H58NO3S+ MolecularWeight: 476.81932

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC(CCCCCCCCC)[N+](C)(C)CCCS(=O)(=O)O

Isomeric SMILES

CCCCCCCCCCCCC(CCCCCCCCC)[N+](C)(C)CCCS(=O)(=O)O

InChI

InChI=1S/C27H57NO3S/c1-5-7-9-11-13-14-15-17-19-21-24-27(23-20-18-16-12-10-8-6-2)28(3,4)25-22-26-32(29,30)31/h27H,5-26H2,1-4H3/p+1