[2-butylimino-3-[(4-chlorophenyl)methyl]-5-octoxy-1,3-benzothiazol-6-yl]iminoazanium

Systemtic Name: [2-butylimino-3-[(4-chlorophenyl)methyl]-5-octoxy-1,3-benzothiazol-6-yl]iminoazanium Openeye Name: [2-butylimino-3-[(4-chlorophenyl)methyl]-5-octoxy-1,3-benzothiazol-6-yl]iminoammonium CAS Name: [2-butylimino-3-[(4-chlorophenyl)methyl]-5-octoxy-1,3-benzothiazol-6-yl]iminoammonium IUPAC Name: [2-butylimino-3-[(4-chlorophenyl)methyl]-5-octoxy-1,3-benzothiazol-6-yl]iminoazanium Traditional Name: [2-butylimino-3-(4-chlorobenzyl)-5-octoxy-1,3-benzothiazol-6-yl]iminoammonium Formula: C26H36ClN4OS+ MolecularWeight: 488.10824

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC2=C(C=C1N=[NH2+])SC(=NCCCC)N2CC3=CC=C(C=C3)Cl

Isomeric SMILES

CCCCCCCCOC1=CC2=C(C=C1N=[NH2+])SC(=NCCCC)N2CC3=CC=C(C=C3)Cl

InChI

InChI=1S/C26H35ClN4OS/c1-3-5-7-8-9-10-16-32-24-18-23-25(17-22(24)30-28)33-26(29-15-6-4-2)31(23)19-20-11-13-21(27)14-12-20/h11-14,17-18,28H,3-10,15-16,19H2,1-2H3/p+1