2-[4-[(2,5-dimethylphenyl)methyl]piperazin-4-ium-1-yl]-4-phenyl-1,3-thiazole

Systemtic Name: 2-[4-[(2,5-dimethylphenyl)methyl]piperazin-4-ium-1-yl]-4-phenyl-1,3-thiazole Openeye Name: 2-[4-[(2,5-dimethylphenyl)methyl]piperazin-4-ium-1-yl]-4-phenyl-thiazole CAS Name: 2-[4-[(2,5-dimethylphenyl)methyl]-1-piperazin-4-iumyl]-4-phenylthiazole IUPAC Name: 2-[4-[(2,5-dimethylphenyl)methyl]piperazin-4-ium-1-yl]-4-phenyl-1,3-thiazole Traditional Name: 2-[4-(2,5-dimethylbenzyl)piperazin-4-ium-1-yl]-4-phenyl-thiazole Formula: C22H26N3S+ MolecularWeight: 364.52694

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C[NH+]2CCN(CC2)C3=NC(=CS3)C4=CC=CC=C4

Isomeric SMILES

CC1=CC(=C(C=C1)C)C[NH+]2CCN(CC2)C3=NC(=CS3)C4=CC=CC=C4

InChI

InChI=1S/C22H25N3S/c1-17-8-9-18(2)20(14-17)15-24-10-12-25(13-11-24)22-23-21(16-26-22)19-6-4-3-5-7-19/h3-9,14,16H,10-13,15H2,1-2H3/p+1