[4-methyl-2-morpholin-4-yl-5-(3,5,5-trimethylhexoxy)-1,3-benzothiazol-6-yl]iminoazanium

Systemtic Name: [4-methyl-2-morpholin-4-yl-5-(3,5,5-trimethylhexoxy)-1,3-benzothiazol-6-yl]iminoazanium Openeye Name: [4-methyl-2-morpholino-5-(3,5,5-trimethylhexoxy)-1,3-benzothiazol-6-yl]iminoammonium CAS Name: [4-methyl-2-(4-morpholinyl)-5-(3,5,5-trimethylhexoxy)-1,3-benzothiazol-6-yl]iminoammonium IUPAC Name: [4-methyl-2-morpholin-4-yl-5-(3,5,5-trimethylhexoxy)-1,3-benzothiazol-6-yl]iminoazanium Traditional Name: [4-methyl-2-morpholino-5-(3,5,5-trimethylhexoxy)-1,3-benzothiazol-6-yl]iminoammonium Formula: C21H33N4O2S+ MolecularWeight: 405.57732

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC2=C1N=C(S2)N3CCOCC3)N=[NH2+])OCCC(C)CC(C)(C)C

Isomeric SMILES

CC1=C(C(=CC2=C1N=C(S2)N3CCOCC3)N=[NH2+])OCCC(C)CC(C)(C)C

InChI

InChI=1S/C21H32N4O2S/c1-14(13-21(3,4)5)6-9-27-19-15(2)18-17(12-16(19)24-22)28-20(23-18)25-7-10-26-11-8-25/h12,14,22H,6-11,13H2,1-5H3/p+1