[5-(4-chloranylphenoxy)-2-(dihexylamino)-1,3-benzothiazol-6-yl]iminoazanium

Systemtic Name: [5-(4-chloranylphenoxy)-2-(dihexylamino)-1,3-benzothiazol-6-yl]iminoazanium Openeye Name: [5-(4-chlorophenoxy)-2-(dihexylamino)-1,3-benzothiazol-6-yl]iminoammonium CAS Name: [5-(4-chlorophenoxy)-2-(dihexylamino)-1,3-benzothiazol-6-yl]iminoammonium IUPAC Name: [5-(4-chlorophenoxy)-2-(dihexylamino)-1,3-benzothiazol-6-yl]iminoazanium Traditional Name: [5-(4-chlorophenoxy)-2-(dihexylamino)-1,3-benzothiazol-6-yl]iminoammonium Formula: C25H34ClN4OS+ MolecularWeight: 474.08166

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN(CCCCCC)C1=NC2=CC(=C(C=C2S1)N=[NH2+])OC3=CC=C(C=C3)Cl

Isomeric SMILES

CCCCCCN(CCCCCC)C1=NC2=CC(=C(C=C2S1)N=[NH2+])OC3=CC=C(C=C3)Cl

InChI

InChI=1S/C25H33ClN4OS/c1-3-5-7-9-15-30(16-10-8-6-4-2)25-28-22-17-23(21(29-27)18-24(22)32-25)31-20-13-11-19(26)12-14-20/h11-14,17-18,27H,3-10,15-16H2,1-2H3/p+1