methyl 2-[4-(4-chlorophenyl)-5-(4-phenylpiperazin-1-ium-1-ylidene)-1,2-thiazol-2-yl]ethanoate

Systemtic Name: methyl 2-[4-(4-chlorophenyl)-5-(4-phenylpiperazin-1-ium-1-ylidene)-1,2-thiazol-2-yl]ethanoate Openeye Name: methyl 2-[4-(4-chlorophenyl)-5-(4-phenylpiperazin-1-ium-1-ylidene)isothiazol-2-yl]acetate CAS Name: 2-[4-(4-chlorophenyl)-5-(4-phenyl-1-piperazin-1-iumylidene)-2-isothiazolyl]acetic acid methyl ester IUPAC Name: methyl 2-[4-(4-chlorophenyl)-5-(4-phenylpiperazin-1-ium-1-ylidene)-1,2-thiazol-2-yl]acetate Traditional Name: 2-[4-(4-chlorophenyl)-5-(4-phenylpiperazin-1-ium-1-ylidene)-3-isothiazolin-2-yl]acetic acid methyl ester Formula: C22H23ClN3O2S+ MolecularWeight: 428.95492

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CN1C=C(C(=[N+]2CCN(CC2)C3=CC=CC=C3)S1)C4=CC=C(C=C4)Cl

Isomeric SMILES

COC(=O)CN1C=C(C(=[N+]2CCN(CC2)C3=CC=CC=C3)S1)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C22H23ClN3O2S/c1-28-21(27)16-26-15-20(17-7-9-18(23)10-8-17)22(29-26)25-13-11-24(12-14-25)19-5-3-2-4-6-19/h2-10,15H,11-14,16H2,1H3/q+1