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

Systemtic Name: [4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]-(2-methyl-4-phenyl-1,3-thiazol-5-yl)methanone Openeye Name: [4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]-(2-methyl-4-phenyl-thiazol-5-yl)methanone CAS Name: [4-[(4-methoxyphenyl)methyl]-1-piperazin-4-iumyl]-(2-methyl-4-phenyl-5-thiazolyl)methanone IUPAC Name: [4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]-(2-methyl-4-phenyl-1,3-thiazol-5-yl)methanone Traditional Name: (2-methyl-4-phenyl-thiazol-5-yl)-(4-p-anisylpiperazin-4-ium-1-yl)methanone Formula: C23H26N3O2S+ MolecularWeight: 408.53644

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(S1)C(=O)N2CC[NH+](CC2)CC3=CC=C(C=C3)OC)C4=CC=CC=C4

Isomeric SMILES

CC1=NC(=C(S1)C(=O)N2CC[NH+](CC2)CC3=CC=C(C=C3)OC)C4=CC=CC=C4

InChI

InChI=1S/C23H25N3O2S/c1-17-24-21(19-6-4-3-5-7-19)22(29-17)23(27)26-14-12-25(13-15-26)16-18-8-10-20(28-2)11-9-18/h3-11H,12-16H2,1-2H3/p+1