[2-(dihexylamino)-5-(3,5,5-trimethylhexoxy)-1,3-benzothiazol-6-yl]iminoazanium

Systemtic Name: [2-(dihexylamino)-5-(3,5,5-trimethylhexoxy)-1,3-benzothiazol-6-yl]iminoazanium Openeye Name: [2-(dihexylamino)-5-(3,5,5-trimethylhexoxy)-1,3-benzothiazol-6-yl]iminoammonium CAS Name: [2-(dihexylamino)-5-(3,5,5-trimethylhexoxy)-1,3-benzothiazol-6-yl]iminoammonium IUPAC Name: [2-(dihexylamino)-5-(3,5,5-trimethylhexoxy)-1,3-benzothiazol-6-yl]iminoazanium Traditional Name: [2-(dihexylamino)-5-(3,5,5-trimethylhexoxy)-1,3-benzothiazol-6-yl]iminoammonium Formula: C28H49N4OS+ MolecularWeight: 489.77986

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN(CCCCCC)C1=NC2=CC(=C(C=C2S1)N=[NH2+])OCCC(C)CC(C)(C)C

Isomeric SMILES

CCCCCCN(CCCCCC)C1=NC2=CC(=C(C=C2S1)N=[NH2+])OCCC(C)CC(C)(C)C

InChI

InChI=1S/C28H48N4OS/c1-7-9-11-13-16-32(17-14-12-10-8-2)27-30-24-19-25(23(31-29)20-26(24)34-27)33-18-15-22(3)21-28(4,5)6/h19-20,22,29H,7-18,21H2,1-6H3/p+1