[2-butylimino-3-(2-ethylhexyl)-5-octoxy-1,3-benzothiazol-6-yl]iminoazanium

Systemtic Name: [2-butylimino-3-(2-ethylhexyl)-5-octoxy-1,3-benzothiazol-6-yl]iminoazanium Openeye Name: [2-butylimino-3-(2-ethylhexyl)-5-octoxy-1,3-benzothiazol-6-yl]iminoammonium CAS Name: [2-butylimino-3-(2-ethylhexyl)-5-octoxy-1,3-benzothiazol-6-yl]iminoammonium IUPAC Name: [2-butylimino-3-(2-ethylhexyl)-5-octoxy-1,3-benzothiazol-6-yl]iminoazanium Traditional Name: [2-butylimino-3-(2-ethylhexyl)-5-octoxy-1,3-benzothiazol-6-yl]iminoammonium Formula: C27H47N4OS+ MolecularWeight: 475.75328

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC2=C(C=C1N=[NH2+])SC(=NCCCC)N2CC(CC)CCCC

Isomeric SMILES

CCCCCCCCOC1=CC2=C(C=C1N=[NH2+])SC(=NCCCC)N2CC(CC)CCCC

InChI

InChI=1S/C27H46N4OS/c1-5-9-12-13-14-15-18-32-25-20-24-26(19-23(25)30-28)33-27(29-17-11-7-3)31(24)21-22(8-4)16-10-6-2/h19-20,22,28H,5-18,21H2,1-4H3/p+1