1,1-bis(oxidanylidene)-1,2-benzothiazol-3-olate; hexadecyl(trimethyl)azanium

Systemtic Name: 1,1-bis(oxidanylidene)-1,2-benzothiazol-3-olate; hexadecyl(trimethyl)azanium Openeye Name: 1,1-dioxo-1,2-benzothiazol-3-olate; hexadecyl(trimethyl)ammonium CAS Name: 1,1-dioxo-1,2-benzothiazol-3-olate; hexadecyl(trimethyl)ammonium IUPAC Name: 1,1-dioxo-1,2-benzothiazol-3-olate; hexadecyl(trimethyl)azanium Traditional Name: cetyl(trimethyl)ammonium; 1,1-diketo-1,2-benzothiazol-3-olate Formula: C26H46N2O3S MolecularWeight: 466.72004

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC[N+](C)(C)C.C1=CC=C2C(=C1)C(=NS2(=O)=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCC[N+](C)(C)C.C1=CC=C2C(=C1)C(=NS2(=O)=O)[O-]

InChI

InChI=1S/C19H42N.C7H5NO3S/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(2,3)4;9-7-5-3-1-2-4-6(5)12(10,11)8-7/h5-19H2,1-4H3;1-4H,(H,8,9)/q+1;/p-1