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

Systemtic Name: (3-butyl-2-butylimino-5-hexoxy-1,3-benzothiazol-6-yl)iminoazanium Openeye Name: (3-butyl-2-butylimino-5-hexoxy-1,3-benzothiazol-6-yl)iminoammonium CAS Name: (3-butyl-2-butylimino-5-hexoxy-1,3-benzothiazol-6-yl)iminoammonium IUPAC Name: (3-butyl-2-butylimino-5-hexoxy-1,3-benzothiazol-6-yl)iminoazanium Traditional Name: (3-butyl-2-butylimino-5-hexoxy-1,3-benzothiazol-6-yl)iminoammonium Formula: C21H35N4OS+ MolecularWeight: 391.5938

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC2=C(C=C1N=[NH2+])SC(=NCCCC)N2CCCC

Isomeric SMILES

CCCCCCOC1=CC2=C(C=C1N=[NH2+])SC(=NCCCC)N2CCCC

InChI

InChI=1S/C21H34N4OS/c1-4-7-10-11-14-26-19-16-18-20(15-17(19)24-22)27-21(23-12-8-5-2)25(18)13-9-6-3/h15-16,22H,4-14H2,1-3H3/p+1