2-(4-chloranyl-2-methyl-phenoxy)-5-[(4-phenylpiperazin-1-ium-1-yl)methyl]-1,3-thiazole

Systemtic Name: 2-(4-chloranyl-2-methyl-phenoxy)-5-[(4-phenylpiperazin-1-ium-1-yl)methyl]-1,3-thiazole Openeye Name: 2-(4-chloro-2-methyl-phenoxy)-5-[(4-phenylpiperazin-1-ium-1-yl)methyl]thiazole CAS Name: 2-(4-chloro-2-methylphenoxy)-5-[(4-phenyl-1-piperazin-1-iumyl)methyl]thiazole IUPAC Name: 2-(4-chloro-2-methylphenoxy)-5-[(4-phenylpiperazin-1-ium-1-yl)methyl]-1,3-thiazole Traditional Name: 2-(4-chloro-2-methyl-phenoxy)-5-[(4-phenylpiperazin-1-ium-1-yl)methyl]thiazole Formula: C21H23ClN3OS+ MolecularWeight: 400.94482

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Cl)OC2=NC=C(S2)C[NH+]3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

CC1=C(C=CC(=C1)Cl)OC2=NC=C(S2)C[NH+]3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C21H22ClN3OS/c1-16-13-17(22)7-8-20(16)26-21-23-14-19(27-21)15-24-9-11-25(12-10-24)18-5-3-2-4-6-18/h2-8,13-14H,9-12,15H2,1H3/p+1