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

Systemtic Name: N-[4-(2-ethoxy-2-oxidanylidene-ethyl)-1,3-thiazol-2-yl]-2-[4-(phenylmethyl)piperazin-1-ium-1-yl]ethanimidate Openeye Name: 2-(4-benzylpiperazin-1-ium-1-yl)-N-[4-(2-ethoxy-2-oxo-ethyl)thiazol-2-yl]ethanimidate CAS Name: N-[4-(2-ethoxy-2-oxoethyl)-2-thiazolyl]-2-[4-(phenylmethyl)-1-piperazin-1-iumyl]ethanimidate IUPAC Name: 2-(4-benzylpiperazin-1-ium-1-yl)-N-[4-(2-ethoxy-2-oxoethyl)-1,3-thiazol-2-yl]ethanimidate Traditional Name: 2-(4-benzylpiperazin-1-ium-1-yl)-N-[4-(2-ethoxy-2-keto-ethyl)thiazol-2-yl]acetimidate Formula: C20H26N4O3S MolecularWeight: 402.51044

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1=CSC(=N1)N=C(C[NH+]2CCN(CC2)CC3=CC=CC=C3)[O-]

Isomeric SMILES

CCOC(=O)CC1=CSC(=N1)N=C(C[NH+]2CCN(CC2)CC3=CC=CC=C3)[O-]

InChI

InChI=1S/C20H26N4O3S/c1-2-27-19(26)12-17-15-28-20(21-17)22-18(25)14-24-10-8-23(9-11-24)13-16-6-4-3-5-7-16/h3-7,15H,2,8-14H2,1H3,(H,21,22,25)