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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)C2=CC=CC=C2)C(=O)N3CC[NH+](CC3)CCOC4=CC=CC=C4

Isomeric SMILES

CC1=C(SC(=N1)C2=CC=CC=C2)C(=O)N3CC[NH+](CC3)CCOC4=CC=CC=C4

InChI

InChI=1S/C23H25N3O2S/c1-18-21(29-22(24-18)19-8-4-2-5-9-19)23(27)26-14-12-25(13-15-26)16-17-28-20-10-6-3-7-11-20/h2-11H,12-17H2,1H3/p+1