(3-butyl-2-butylimino-4-chloranyl-7-octoxy-1,3-benzothiazol-6-yl)iminoazanium

Systemtic Name: (3-butyl-2-butylimino-4-chloranyl-7-octoxy-1,3-benzothiazol-6-yl)iminoazanium Openeye Name: (3-butyl-2-butylimino-4-chloro-7-octoxy-1,3-benzothiazol-6-yl)iminoammonium CAS Name: (3-butyl-2-butylimino-4-chloro-7-octoxy-1,3-benzothiazol-6-yl)iminoammonium IUPAC Name: (3-butyl-2-butylimino-4-chloro-7-octoxy-1,3-benzothiazol-6-yl)iminoazanium Traditional Name: (3-butyl-2-butylimino-4-chloro-7-octoxy-1,3-benzothiazol-6-yl)iminoammonium Formula: C23H38ClN4OS+ MolecularWeight: 454.09202

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=C2C(=C(C=C1N=[NH2+])Cl)N(C(=NCCCC)S2)CCCC

Isomeric SMILES

CCCCCCCCOC1=C2C(=C(C=C1N=[NH2+])Cl)N(C(=NCCCC)S2)CCCC

InChI

InChI=1S/C23H37ClN4OS/c1-4-7-10-11-12-13-16-29-21-19(27-25)17-18(24)20-22(21)30-23(26-14-8-5-2)28(20)15-9-6-3/h17,25H,4-16H2,1-3H3/p+1