(5Z)-2-[4-(phenylmethyl)piperazin-4-ium-1-yl]-5-[(2-prop-2-enoxyphenyl)methylidene]-1,3-thiazol-4-one

Systemtic Name: (5Z)-2-[4-(phenylmethyl)piperazin-4-ium-1-yl]-5-[(2-prop-2-enoxyphenyl)methylidene]-1,3-thiazol-4-one Openeye Name: (5Z)-5-[(2-allyloxyphenyl)methylene]-2-(4-benzylpiperazin-4-ium-1-yl)thiazol-4-one CAS Name: (5Z)-2-[4-(phenylmethyl)-1-piperazin-4-iumyl]-5-[(2-prop-2-enoxyphenyl)methylidene]-4-thiazolone IUPAC Name: (5Z)-2-(4-benzylpiperazin-4-ium-1-yl)-5-[(2-prop-2-enoxyphenyl)methylidene]-1,3-thiazol-4-one Traditional Name: (5Z)-5-(2-allyloxybenzylidene)-2-(4-benzylpiperazin-4-ium-1-yl)-2-thiazolin-4-one Formula: C24H26N3O2S+ MolecularWeight: 420.54714

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Descriptors Computed from Structure

Canonical SMILES:

C=CCOC1=CC=CC=C1C=C2C(=O)N=C(S2)N3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

C=CCOC1=CC=CC=C1/C=C\2/C(=O)N=C(S2)N3CC[NH+](CC3)CC4=CC=CC=C4

InChI

InChI=1S/C24H25N3O2S/c1-2-16-29-21-11-7-6-10-20(21)17-22-23(28)25-24(30-22)27-14-12-26(13-15-27)18-19-8-4-3-5-9-19/h2-11,17H,1,12-16,18H2/p+1/b22-17-