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

Systemtic Name: 2-[4-[(2,5-dimethylphenyl)methyl]piperazin-4-ium-1-yl]-4-(3-methoxyphenyl)-1,3-thiazole Openeye Name: 2-[4-[(2,5-dimethylphenyl)methyl]piperazin-4-ium-1-yl]-4-(3-methoxyphenyl)thiazole CAS Name: 2-[4-[(2,5-dimethylphenyl)methyl]-1-piperazin-4-iumyl]-4-(3-methoxyphenyl)thiazole IUPAC Name: 2-[4-[(2,5-dimethylphenyl)methyl]piperazin-4-ium-1-yl]-4-(3-methoxyphenyl)-1,3-thiazole Traditional Name: 2-[4-(2,5-dimethylbenzyl)piperazin-4-ium-1-yl]-4-(3-methoxyphenyl)thiazole Formula: C23H28N3OS+ MolecularWeight: 394.55292

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C23H27N3OS/c1-17-7-8-18(2)20(13-17)15-25-9-11-26(12-10-25)23-24-22(16-28-23)19-5-4-6-21(14-19)27-3/h4-8,13-14,16H,9-12,15H2,1-3H3/p+1