N-[4-(2-ethoxy-2-oxidanylidene-ethyl)-1,3-thiazol-2-yl]-2-(4-phenylpiperazin-1-ium-1-yl)ethanimidate

Systemtic Name: N-[4-(2-ethoxy-2-oxidanylidene-ethyl)-1,3-thiazol-2-yl]-2-(4-phenylpiperazin-1-ium-1-yl)ethanimidate Openeye Name: N-[4-(2-ethoxy-2-oxo-ethyl)thiazol-2-yl]-2-(4-phenylpiperazin-1-ium-1-yl)ethanimidate CAS Name: N-[4-(2-ethoxy-2-oxoethyl)-2-thiazolyl]-2-(4-phenyl-1-piperazin-1-iumyl)ethanimidate IUPAC Name: N-[4-(2-ethoxy-2-oxoethyl)-1,3-thiazol-2-yl]-2-(4-phenylpiperazin-1-ium-1-yl)ethanimidate Traditional Name: N-[4-(2-ethoxy-2-keto-ethyl)thiazol-2-yl]-2-(4-phenylpiperazin-1-ium-1-yl)acetimidate Formula: C19H24N4O3S MolecularWeight: 388.48386

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1=CSC(=N1)N=C(C[NH+]2CCN(CC2)C3=CC=CC=C3)[O-]

Isomeric SMILES

CCOC(=O)CC1=CSC(=N1)N=C(C[NH+]2CCN(CC2)C3=CC=CC=C3)[O-]

InChI

InChI=1S/C19H24N4O3S/c1-2-26-18(25)12-15-14-27-19(20-15)21-17(24)13-22-8-10-23(11-9-22)16-6-4-3-5-7-16/h3-7,14H,2,8-13H2,1H3,(H,20,21,24)