(3-butyl-2-butylimino-5-octoxy-1,3-benzothiazol-6-yl)iminoazanium

Systemtic Name: (3-butyl-2-butylimino-5-octoxy-1,3-benzothiazol-6-yl)iminoazanium Openeye Name: (3-butyl-2-butylimino-5-octoxy-1,3-benzothiazol-6-yl)iminoammonium CAS Name: (3-butyl-2-butylimino-5-octoxy-1,3-benzothiazol-6-yl)iminoammonium IUPAC Name: (3-butyl-2-butylimino-5-octoxy-1,3-benzothiazol-6-yl)iminoazanium Traditional Name: (3-butyl-2-butylimino-5-octoxy-1,3-benzothiazol-6-yl)iminoammonium Formula: C23H39N4OS+ MolecularWeight: 419.64696

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC2=C(C=C1N=[NH2+])SC(=NCCCC)N2CCCC

Isomeric SMILES

CCCCCCCCOC1=CC2=C(C=C1N=[NH2+])SC(=NCCCC)N2CCCC

InChI

InChI=1S/C23H38N4OS/c1-4-7-10-11-12-13-16-28-21-18-20-22(17-19(21)26-24)29-23(25-14-8-5-2)27(20)15-9-6-3/h17-18,24H,4-16H2,1-3H3/p+1