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

Systemtic Name: 1,1-bis(oxidanylidene)-1,2-benzothiazol-3-olate; dimethyl-(phenylmethyl)-tetradecyl-azanium Openeye Name: benzyl-dimethyl-tetradecyl-ammonium; 1,1-dioxo-1,2-benzothiazol-3-olate CAS Name: dimethyl-(phenylmethyl)-tetradecylammonium; 1,1-dioxo-1,2-benzothiazol-3-olate IUPAC Name: benzyl-dimethyl-tetradecylazanium; 1,1-dioxo-1,2-benzothiazol-3-olate Traditional Name: benzyl-dimethyl-myristyl-ammonium; 1,1-diketo-1,2-benzothiazol-3-olate Formula: C30H46N2O3S MolecularWeight: 514.76284

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H42N.C7H5NO3S/c1-4-5-6-7-8-9-10-11-12-13-14-18-21-24(2,3)22-23-19-16-15-17-20-23;9-7-5-3-1-2-4-6(5)12(10,11)8-7/h15-17,19-20H,4-14,18,21-22H2,1-3H3;1-4H,(H,8,9)/q+1;/p-1