[2-(dicyclohexylamino)-5-(3,5,5-trimethylhexoxy)-1,3-benzothiazol-6-yl]iminoazanium

Systemtic Name: [2-(dicyclohexylamino)-5-(3,5,5-trimethylhexoxy)-1,3-benzothiazol-6-yl]iminoazanium Openeye Name: [2-(dicyclohexylamino)-5-(3,5,5-trimethylhexoxy)-1,3-benzothiazol-6-yl]iminoammonium CAS Name: [2-(dicyclohexylamino)-5-(3,5,5-trimethylhexoxy)-1,3-benzothiazol-6-yl]iminoammonium IUPAC Name: [2-(dicyclohexylamino)-5-(3,5,5-trimethylhexoxy)-1,3-benzothiazol-6-yl]iminoazanium Traditional Name: [2-(dicyclohexylamino)-5-(3,5,5-trimethylhexoxy)-1,3-benzothiazol-6-yl]iminoammonium Formula: C28H45N4OS+ MolecularWeight: 485.7481

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCOC1=C(C=C2C(=C1)N=C(S2)N(C3CCCCC3)C4CCCCC4)N=[NH2+])CC(C)(C)C

Isomeric SMILES

CC(CCOC1=C(C=C2C(=C1)N=C(S2)N(C3CCCCC3)C4CCCCC4)N=[NH2+])CC(C)(C)C

InChI

InChI=1S/C28H44N4OS/c1-20(19-28(2,3)4)15-16-33-25-17-24-26(18-23(25)31-29)34-27(30-24)32(21-11-7-5-8-12-21)22-13-9-6-10-14-22/h17-18,20-22,29H,5-16,19H2,1-4H3/p+1