2-(4-propan-2-ylphenyl)-4-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]-1,3-thiazole

Systemtic Name: 2-(4-propan-2-ylphenyl)-4-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]-1,3-thiazole Openeye Name: 2-(4-isopropylphenyl)-4-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]thiazole CAS Name: 2-(4-propan-2-ylphenyl)-4-[[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]methyl]thiazole IUPAC Name: 2-(4-propan-2-ylphenyl)-4-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]-1,3-thiazole Traditional Name: 2-p-cumenyl-4-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]thiazole Formula: C22H28N4S+2 MolecularWeight: 380.54952

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C2=NC(=CS2)C[NH+]3CCN(CC3)C4=CC=CC=[NH+]4

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C2=NC(=CS2)C[NH+]3CCN(CC3)C4=CC=CC=[NH+]4

InChI

InChI=1S/C22H26N4S/c1-17(2)18-6-8-19(9-7-18)22-24-20(16-27-22)15-25-11-13-26(14-12-25)21-5-3-4-10-23-21/h3-10,16-17H,11-15H2,1-2H3/p+2