N-(5,5-dimethyl-7-oxidanylidene-4,6-dihydro-1,3-benzothiazol-2-yl)-2-(4-phenylpiperazin-1-ium-1-yl)ethanimidate

Systemtic Name: N-(5,5-dimethyl-7-oxidanylidene-4,6-dihydro-1,3-benzothiazol-2-yl)-2-(4-phenylpiperazin-1-ium-1-yl)ethanimidate Openeye Name: N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)-2-(4-phenylpiperazin-1-ium-1-yl)ethanimidate CAS Name: N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)-2-(4-phenyl-1-piperazin-1-iumyl)ethanimidate IUPAC Name: N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)-2-(4-phenylpiperazin-1-ium-1-yl)ethanimidate Traditional Name: N-(7-keto-5,5-dimethyl-4,6-dihydro-1,3-benzothiazol-2-yl)-2-(4-phenylpiperazin-1-ium-1-yl)acetimidate Formula: C21H26N4O2S MolecularWeight: 398.52174

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C(=O)C1)SC(=N2)N=C(C[NH+]3CCN(CC3)C4=CC=CC=C4)[O-])C

Isomeric SMILES

CC1(CC2=C(C(=O)C1)SC(=N2)N=C(C[NH+]3CCN(CC3)C4=CC=CC=C4)[O-])C

InChI

InChI=1S/C21H26N4O2S/c1-21(2)12-16-19(17(26)13-21)28-20(22-16)23-18(27)14-24-8-10-25(11-9-24)15-6-4-3-5-7-15/h3-7H,8-14H2,1-2H3,(H,22,23,27)