1,1-bis(oxidanylidene)-1,2-benzothiazol-3-olate; dodecyl-dimethyl-(phenylmethyl)azanium

Systemtic Name: 1,1-bis(oxidanylidene)-1,2-benzothiazol-3-olate; dodecyl-dimethyl-(phenylmethyl)azanium Openeye Name: benzyl-dodecyl-dimethyl-ammonium; 1,1-dioxo-1,2-benzothiazol-3-olate CAS Name: 1,1-dioxo-1,2-benzothiazol-3-olate; dodecyl-dimethyl-(phenylmethyl)ammonium IUPAC Name: benzyl-dodecyl-dimethylazanium; 1,1-dioxo-1,2-benzothiazol-3-olate Traditional Name: benzyl-lauryl-dimethyl-ammonium; 1,1-diketo-1,2-benzothiazol-3-olate Formula: C28H42N2O3S MolecularWeight: 486.70968

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC[N+](C)(C)CC1=CC=CC=C1.C1=CC=C2C(=C1)C(=NS2(=O)=O)[O-]

Isomeric SMILES

CCCCCCCCCCCC[N+](C)(C)CC1=CC=CC=C1.C1=CC=C2C(=C1)C(=NS2(=O)=O)[O-]

InChI

InChI=1S/C21H38N.C7H5NO3S/c1-4-5-6-7-8-9-10-11-12-16-19-22(2,3)20-21-17-14-13-15-18-21;9-7-5-3-1-2-4-6(5)12(10,11)8-7/h13-15,17-18H,4-12,16,19-20H2,1-3H3;1-4H,(H,8,9)/q+1;/p-1