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

Systemtic Name: 2-[4-(diphenylmethyl)piperazin-1-ium-1-yl]-N-[4-(2-ethoxy-2-oxidanylidene-ethyl)-1,3-thiazol-2-yl]ethanimidate Openeye Name: 2-(4-benzhydrylpiperazin-1-ium-1-yl)-N-[4-(2-ethoxy-2-oxo-ethyl)thiazol-2-yl]ethanimidate CAS Name: 2-[4-(diphenylmethyl)-1-piperazin-1-iumyl]-N-[4-(2-ethoxy-2-oxoethyl)-2-thiazolyl]ethanimidate IUPAC Name: 2-(4-benzhydrylpiperazin-1-ium-1-yl)-N-[4-(2-ethoxy-2-oxoethyl)-1,3-thiazol-2-yl]ethanimidate Traditional Name: 2-(4-benzhydrylpiperazin-1-ium-1-yl)-N-[4-(2-ethoxy-2-keto-ethyl)thiazol-2-yl]acetimidate Formula: C26H30N4O3S MolecularWeight: 478.6064

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1=CSC(=N1)N=C(C[NH+]2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4)[O-]

Isomeric SMILES

CCOC(=O)CC1=CSC(=N1)N=C(C[NH+]2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4)[O-]

InChI

InChI=1S/C26H30N4O3S/c1-2-33-24(32)17-22-19-34-26(27-22)28-23(31)18-29-13-15-30(16-14-29)25(20-9-5-3-6-10-20)21-11-7-4-8-12-21/h3-12,19,25H,2,13-18H2,1H3,(H,27,28,31)