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

Systemtic Name: [2-butylimino-3-[(2,4-dichlorophenyl)methyl]-5-octoxy-1,3-benzothiazol-6-yl]iminoazanium Openeye Name: [2-butylimino-3-[(2,4-dichlorophenyl)methyl]-5-octoxy-1,3-benzothiazol-6-yl]iminoammonium CAS Name: [2-butylimino-3-[(2,4-dichlorophenyl)methyl]-5-octoxy-1,3-benzothiazol-6-yl]iminoammonium IUPAC Name: [2-butylimino-3-[(2,4-dichlorophenyl)methyl]-5-octoxy-1,3-benzothiazol-6-yl]iminoazanium Traditional Name: [2-butylimino-3-(2,4-dichlorobenzyl)-5-octoxy-1,3-benzothiazol-6-yl]iminoammonium Formula: C26H35Cl2N4OS+ MolecularWeight: 522.5533

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H34Cl2N4OS/c1-3-5-7-8-9-10-14-33-24-17-23-25(16-22(24)31-29)34-26(30-13-6-4-2)32(23)18-19-11-12-20(27)15-21(19)28/h11-12,15-17,29H,3-10,13-14,18H2,1-2H3/p+1