[7-chloranyl-2-(dibutylamino)-5-octoxy-1,3-benzothiazol-6-yl]iminoazanium

Systemtic Name: [7-chloranyl-2-(dibutylamino)-5-octoxy-1,3-benzothiazol-6-yl]iminoazanium Openeye Name: [7-chloro-2-(dibutylamino)-5-octoxy-1,3-benzothiazol-6-yl]iminoammonium CAS Name: [7-chloro-2-(dibutylamino)-5-octoxy-1,3-benzothiazol-6-yl]iminoammonium IUPAC Name: [7-chloro-2-(dibutylamino)-5-octoxy-1,3-benzothiazol-6-yl]iminoazanium Traditional Name: [7-chloro-2-(dibutylamino)-5-octoxy-1,3-benzothiazol-6-yl]iminoammonium Formula: C23H38ClN4OS+ MolecularWeight: 454.09202

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=C(C(=C2C(=C1)N=C(S2)N(CCCC)CCCC)Cl)N=[NH2+]

Isomeric SMILES

CCCCCCCCOC1=C(C(=C2C(=C1)N=C(S2)N(CCCC)CCCC)Cl)N=[NH2+]

InChI

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