[7-chloranyl-2-piperidin-1-yl-5-(3,5,5-trimethylhexoxy)-1,3-benzothiazol-6-yl]iminoazanium

Systemtic Name: [7-chloranyl-2-piperidin-1-yl-5-(3,5,5-trimethylhexoxy)-1,3-benzothiazol-6-yl]iminoazanium Openeye Name: [7-chloro-2-(1-piperidyl)-5-(3,5,5-trimethylhexoxy)-1,3-benzothiazol-6-yl]iminoammonium CAS Name: [7-chloro-2-(1-piperidinyl)-5-(3,5,5-trimethylhexoxy)-1,3-benzothiazol-6-yl]iminoammonium IUPAC Name: [7-chloro-2-piperidin-1-yl-5-(3,5,5-trimethylhexoxy)-1,3-benzothiazol-6-yl]iminoazanium Traditional Name: [7-chloro-2-piperidino-5-(3,5,5-trimethylhexoxy)-1,3-benzothiazol-6-yl]iminoammonium Formula: C21H32ClN4OS+ MolecularWeight: 424.02298

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCOC1=C(C(=C2C(=C1)N=C(S2)N3CCCCC3)Cl)N=[NH2+])CC(C)(C)C

Isomeric SMILES

CC(CCOC1=C(C(=C2C(=C1)N=C(S2)N3CCCCC3)Cl)N=[NH2+])CC(C)(C)C

InChI

InChI=1S/C21H31ClN4OS/c1-14(13-21(2,3)4)8-11-27-16-12-15-19(17(22)18(16)25-23)28-20(24-15)26-9-6-5-7-10-26/h12,14,23H,5-11,13H2,1-4H3/p+1