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

Systemtic Name: [4-chloranyl-2-(dibutylamino)-5-hexoxy-1,3-benzothiazol-6-yl]iminoazanium Openeye Name: [4-chloro-2-(dibutylamino)-5-hexoxy-1,3-benzothiazol-6-yl]iminoammonium CAS Name: [4-chloro-2-(dibutylamino)-5-hexoxy-1,3-benzothiazol-6-yl]iminoammonium IUPAC Name: [4-chloro-2-(dibutylamino)-5-hexoxy-1,3-benzothiazol-6-yl]iminoazanium Traditional Name: [4-chloro-2-(dibutylamino)-5-hexoxy-1,3-benzothiazol-6-yl]iminoammonium Formula: C21H34ClN4OS+ MolecularWeight: 426.03886

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C2=C(C=C1N=[NH2+])SC(=N2)N(CCCC)CCCC)Cl

Isomeric SMILES

CCCCCCOC1=C(C2=C(C=C1N=[NH2+])SC(=N2)N(CCCC)CCCC)Cl

InChI

InChI=1S/C21H33ClN4OS/c1-4-7-10-11-14-27-20-16(25-23)15-17-19(18(20)22)24-21(28-17)26(12-8-5-2)13-9-6-3/h15,23H,4-14H2,1-3H3/p+1