[2-(dibutylamino)-5,7-dioctoxy-1,3-benzothiazol-6-yl]iminoazanium

Systemtic Name: [2-(dibutylamino)-5,7-dioctoxy-1,3-benzothiazol-6-yl]iminoazanium Openeye Name: [2-(dibutylamino)-5,7-dioctoxy-1,3-benzothiazol-6-yl]iminoammonium CAS Name: [2-(dibutylamino)-5,7-dioctoxy-1,3-benzothiazol-6-yl]iminoammonium IUPAC Name: [2-(dibutylamino)-5,7-dioctoxy-1,3-benzothiazol-6-yl]iminoazanium Traditional Name: [2-(dibutylamino)-5,7-dioctoxy-1,3-benzothiazol-6-yl]iminoammonium Formula: C31H55N4O2S+ MolecularWeight: 547.859

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=C(C(=C2C(=C1)N=C(S2)N(CCCC)CCCC)OCCCCCCCC)N=[NH2+]

Isomeric SMILES

CCCCCCCCOC1=C(C(=C2C(=C1)N=C(S2)N(CCCC)CCCC)OCCCCCCCC)N=[NH2+]

InChI

InChI=1S/C31H54N4O2S/c1-5-9-13-15-17-19-23-36-27-25-26-30(38-31(33-26)35(21-11-7-3)22-12-8-4)29(28(27)34-32)37-24-20-18-16-14-10-6-2/h25,32H,5-24H2,1-4H3/p+1