(NE)-N-[(E)-3-phenylprop-2-enylidene]sulfamate; tetrabutylazanium

Systemtic Name: (NE)-N-[(E)-3-phenylprop-2-enylidene]sulfamate; tetrabutylazanium Openeye Name: (NE)-N-[(E)-3-phenylprop-2-enylidene]sulfamate; tetrabutylammonium CAS Name: (NE)-N-[(E)-3-phenylprop-2-enylidene]sulfamate; tetrabutylammonium IUPAC Name: (NE)-N-[(E)-3-phenylprop-2-enylidene]sulfamate; tetrabutylazanium Traditional Name: (NE)-N-[(E)-3-phenylprop-2-enylidene]sulfamate; tetrabutylammonium Formula: C25H44N2O3S MolecularWeight: 452.69346

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+](CCCC)(CCCC)CCCC.C1=CC=C(C=C1)C=CC=NS(=O)(=O)[O-]

Isomeric SMILES

CCCC[N+](CCCC)(CCCC)CCCC.C1=CC=C(C=C1)/C=C/C=N/S(=O)(=O)[O-]

InChI

InChI=1S/C16H36N.C9H9NO3S/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;11-14(12,13)10-8-4-7-9-5-2-1-3-6-9/h5-16H2,1-4H3;1-8H,(H,11,12,13)/q+1;/p-1/b;7-4+,10-8+