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

Systemtic Name: [2-morpholin-4-yl-5-(3,5,5-trimethylhexoxy)-1,3-benzothiazol-6-yl]iminoazanium Openeye Name: [2-morpholino-5-(3,5,5-trimethylhexoxy)-1,3-benzothiazol-6-yl]iminoammonium CAS Name: [2-(4-morpholinyl)-5-(3,5,5-trimethylhexoxy)-1,3-benzothiazol-6-yl]iminoammonium IUPAC Name: [2-morpholin-4-yl-5-(3,5,5-trimethylhexoxy)-1,3-benzothiazol-6-yl]iminoazanium Traditional Name: [2-morpholino-5-(3,5,5-trimethylhexoxy)-1,3-benzothiazol-6-yl]iminoammonium Formula: C20H31N4O2S+ MolecularWeight: 391.55074

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCOC1=C(C=C2C(=C1)N=C(S2)N3CCOCC3)N=[NH2+])CC(C)(C)C

Isomeric SMILES

CC(CCOC1=C(C=C2C(=C1)N=C(S2)N3CCOCC3)N=[NH2+])CC(C)(C)C

InChI

InChI=1S/C20H30N4O2S/c1-14(13-20(2,3)4)5-8-26-17-11-16-18(12-15(17)23-21)27-19(22-16)24-6-9-25-10-7-24/h11-12,14,21H,5-10,13H2,1-4H3/p+1