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

Systemtic Name: (5Z)-2-[4-(phenylmethyl)piperazin-4-ium-1-yl]-5-[(4-propoxyphenyl)methylidene]-1,3-thiazol-4-one Openeye Name: (5Z)-2-(4-benzylpiperazin-4-ium-1-yl)-5-[(4-propoxyphenyl)methylene]thiazol-4-one CAS Name: (5Z)-2-[4-(phenylmethyl)-1-piperazin-4-iumyl]-5-[(4-propoxyphenyl)methylidene]-4-thiazolone IUPAC Name: (5Z)-2-(4-benzylpiperazin-4-ium-1-yl)-5-[(4-propoxyphenyl)methylidene]-1,3-thiazol-4-one Traditional Name: (5Z)-2-(4-benzylpiperazin-4-ium-1-yl)-5-(4-propoxybenzylidene)-2-thiazolin-4-one Formula: C24H28N3O2S+ MolecularWeight: 422.56302

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C=C2C(=O)N=C(S2)N3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

CCCOC1=CC=C(C=C1)/C=C\2/C(=O)N=C(S2)N3CC[NH+](CC3)CC4=CC=CC=C4

InChI

InChI=1S/C24H27N3O2S/c1-2-16-29-21-10-8-19(9-11-21)17-22-23(28)25-24(30-22)27-14-12-26(13-15-27)18-20-6-4-3-5-7-20/h3-11,17H,2,12-16,18H2,1H3/p+1/b22-17-