[2-[cyclohexyl(methyl)amino]-5-octoxy-1,3-benzothiazol-6-yl]iminoazanium

Systemtic Name: [2-[cyclohexyl(methyl)amino]-5-octoxy-1,3-benzothiazol-6-yl]iminoazanium Openeye Name: [2-[cyclohexyl(methyl)amino]-5-octoxy-1,3-benzothiazol-6-yl]iminoammonium CAS Name: [2-[cyclohexyl(methyl)amino]-5-octoxy-1,3-benzothiazol-6-yl]iminoammonium IUPAC Name: [2-[cyclohexyl(methyl)amino]-5-octoxy-1,3-benzothiazol-6-yl]iminoazanium Traditional Name: [2-[cyclohexyl(methyl)amino]-5-octoxy-1,3-benzothiazol-6-yl]iminoammonium Formula: C22H35N4OS+ MolecularWeight: 403.6045

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=C(C=C2C(=C1)N=C(S2)N(C)C3CCCCC3)N=[NH2+]

Isomeric SMILES

CCCCCCCCOC1=C(C=C2C(=C1)N=C(S2)N(C)C3CCCCC3)N=[NH2+]

InChI

InChI=1S/C22H34N4OS/c1-3-4-5-6-7-11-14-27-20-15-19-21(16-18(20)25-23)28-22(24-19)26(2)17-12-9-8-10-13-17/h15-17,23H,3-14H2,1-2H3/p+1