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

Systemtic Name: [2-(4-ethanoylpiperazin-1-yl)-5-(3,5,5-trimethylhexoxy)-1,3-benzothiazol-6-yl]iminoazanium Openeye Name: [2-(4-acetylpiperazin-1-yl)-5-(3,5,5-trimethylhexoxy)-1,3-benzothiazol-6-yl]iminoammonium CAS Name: [2-(4-acetyl-1-piperazinyl)-5-(3,5,5-trimethylhexoxy)-1,3-benzothiazol-6-yl]iminoammonium IUPAC Name: [2-(4-acetylpiperazin-1-yl)-5-(3,5,5-trimethylhexoxy)-1,3-benzothiazol-6-yl]iminoazanium Traditional Name: [2-(4-acetylpiperazino)-5-(3,5,5-trimethylhexoxy)-1,3-benzothiazol-6-yl]iminoammonium Formula: C22H34N5O2S+ MolecularWeight: 432.60266

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCOC1=C(C=C2C(=C1)N=C(S2)N3CCN(CC3)C(=O)C)N=[NH2+])CC(C)(C)C

Isomeric SMILES

CC(CCOC1=C(C=C2C(=C1)N=C(S2)N3CCN(CC3)C(=O)C)N=[NH2+])CC(C)(C)C

InChI

InChI=1S/C22H33N5O2S/c1-15(14-22(3,4)5)6-11-29-19-12-18-20(13-17(19)25-23)30-21(24-18)27-9-7-26(8-10-27)16(2)28/h12-13,15,23H,6-11,14H2,1-5H3/p+1