[4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]-(4-methyl-2-thiophen-3-yl-1,3-thiazol-5-yl)methanone

Systemtic Name: [4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]-(4-methyl-2-thiophen-3-yl-1,3-thiazol-5-yl)methanone Openeye Name: [4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]-[4-methyl-2-(3-thienyl)thiazol-5-yl]methanone CAS Name: [4-[(4-methoxyphenyl)methyl]-1-piperazin-4-iumyl]-[4-methyl-2-(3-thiophenyl)-5-thiazolyl]methanone IUPAC Name: [4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]-(4-methyl-2-thiophen-3-yl-1,3-thiazol-5-yl)methanone Traditional Name: [4-methyl-2-(3-thienyl)thiazol-5-yl]-(4-p-anisylpiperazin-4-ium-1-yl)methanone Formula: C21H24N3O2S2+ MolecularWeight: 414.56416

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)C2=CSC=C2)C(=O)N3CC[NH+](CC3)CC4=CC=C(C=C4)OC

Isomeric SMILES

CC1=C(SC(=N1)C2=CSC=C2)C(=O)N3CC[NH+](CC3)CC4=CC=C(C=C4)OC

InChI

InChI=1S/C21H23N3O2S2/c1-15-19(28-20(22-15)17-7-12-27-14-17)21(25)24-10-8-23(9-11-24)13-16-3-5-18(26-2)6-4-16/h3-7,12,14H,8-11,13H2,1-2H3/p+1