dimethyl-[3-[(E)-5-phenylpent-2-enoyl]oxypropyl]-(4-sulfobutyl)azanium

Systemtic Name: dimethyl-[3-[(E)-5-phenylpent-2-enoyl]oxypropyl]-(4-sulfobutyl)azanium Openeye Name: dimethyl-[3-[(E)-5-phenylpent-2-enoyl]oxypropyl]-(4-sulfobutyl)ammonium CAS Name: dimethyl-[3-[(E)-1-oxo-5-phenylpent-2-enoxy]propyl]-(4-sulfobutyl)ammonium IUPAC Name: dimethyl-[3-[(E)-5-phenylpent-2-enoyl]oxypropyl]-(4-sulfobutyl)azanium Traditional Name: dimethyl-[3-[(E)-5-phenylpent-2-enoyl]oxypropyl]-(4-sulfobutyl)ammonium Formula: C20H32NO5S+ MolecularWeight: 398.53678

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(CCCCS(=O)(=O)O)CCCOC(=O)C=CCCC1=CC=CC=C1

Isomeric SMILES

C[N+](C)(CCCCS(=O)(=O)O)CCCOC(=O)/C=C/CCC1=CC=CC=C1

InChI

InChI=1S/C20H31NO5S/c1-21(2,15-8-9-18-27(23,24)25)16-10-17-26-20(22)14-7-6-13-19-11-4-3-5-12-19/h3-5,7,11-12,14H,6,8-10,13,15-18H2,1-2H3/p+1/b14-7+