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

Systemtic Name: [2-(3-oxidanylidenepiperazin-1-yl)-5-(3,5,5-trimethylhexoxy)-1,3-benzothiazol-6-yl]iminoazanium Openeye Name: [2-(3-oxopiperazin-1-yl)-5-(3,5,5-trimethylhexoxy)-1,3-benzothiazol-6-yl]iminoammonium CAS Name: [2-(3-oxo-1-piperazinyl)-5-(3,5,5-trimethylhexoxy)-1,3-benzothiazol-6-yl]iminoammonium IUPAC Name: [2-(3-oxopiperazin-1-yl)-5-(3,5,5-trimethylhexoxy)-1,3-benzothiazol-6-yl]iminoazanium Traditional Name: [2-(3-ketopiperazino)-5-(3,5,5-trimethylhexoxy)-1,3-benzothiazol-6-yl]iminoammonium Formula: C20H30N5O2S+ MolecularWeight: 404.5495

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCOC1=C(C=C2C(=C1)N=C(S2)N3CCNC(=O)C3)N=[NH2+])CC(C)(C)C

Isomeric SMILES

CC(CCOC1=C(C=C2C(=C1)N=C(S2)N3CCNC(=O)C3)N=[NH2+])CC(C)(C)C

InChI

InChI=1S/C20H29N5O2S/c1-13(11-20(2,3)4)5-8-27-16-9-15-17(10-14(16)24-21)28-19(23-15)25-7-6-22-18(26)12-25/h9-10,13,21H,5-8,11-12H2,1-4H3,(H,22,26)/p+1