dimethyl-[(E)-9-phenylnon-2-enyl]-(4-sulfobutyl)azanium

Systemtic Name: dimethyl-[(E)-9-phenylnon-2-enyl]-(4-sulfobutyl)azanium Openeye Name: dimethyl-[(E)-9-phenylnon-2-enyl]-(4-sulfobutyl)ammonium CAS Name: dimethyl-[(E)-9-phenylnon-2-enyl]-(4-sulfobutyl)ammonium IUPAC Name: dimethyl-[(E)-9-phenylnon-2-enyl]-(4-sulfobutyl)azanium Traditional Name: dimethyl-[(E)-9-phenylnon-2-enyl]-(4-sulfobutyl)ammonium Formula: C21H36NO3S+ MolecularWeight: 382.58044

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(CCCCS(=O)(=O)O)CC=CCCCCCCC1=CC=CC=C1

Isomeric SMILES

C[N+](C)(CCCCS(=O)(=O)O)C/C=C/CCCCCCC1=CC=CC=C1

InChI

InChI=1S/C21H35NO3S/c1-22(2,19-13-14-20-26(23,24)25)18-12-7-5-3-4-6-9-15-21-16-10-8-11-17-21/h7-8,10-12,16-17H,3-6,9,13-15,18-20H2,1-2H3/p+1/b12-7+