[(E)-hexadec-1-enyl]-dimethyl-azanium; propane-1-sulfonate

Systemtic Name: [(E)-hexadec-1-enyl]-dimethyl-azanium; propane-1-sulfonate Openeye Name: [(E)-hexadec-1-enyl]-dimethyl-ammonium; propane-1-sulfonate CAS Name: [(E)-hexadec-1-enyl]-dimethylammonium; 1-propanesulfonate IUPAC Name: [(E)-hexadec-1-enyl]-dimethylazanium; propane-1-sulfonate Traditional Name: [(E)-hexadec-1-enyl]-dimethyl-ammonium; propane-1-sulfonate Formula: C21H45NO3S MolecularWeight: 391.6519

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCC=C[NH+](C)C.CCCS(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCC/C=C/[NH+](C)C.CCCS(=O)(=O)[O-]

InChI

InChI=1S/C18H37N.C3H8O3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(2)3;1-2-3-7(4,5)6/h17-18H,4-16H2,1-3H3;2-3H2,1H3,(H,4,5,6)/b18-17+;