2-[[4-(6-methyl-2-propan-2-yl-pyrimidin-4-yl)piperazin-1-ium-1-yl]methyl]-1,3-benzothiazole

Systemtic Name: 2-[[4-(6-methyl-2-propan-2-yl-pyrimidin-4-yl)piperazin-1-ium-1-yl]methyl]-1,3-benzothiazole Openeye Name: 2-[[4-(2-isopropyl-6-methyl-pyrimidin-4-yl)piperazin-1-ium-1-yl]methyl]-1,3-benzothiazole CAS Name: 2-[[4-(6-methyl-2-propan-2-yl-4-pyrimidinyl)-1-piperazin-1-iumyl]methyl]-1,3-benzothiazole IUPAC Name: 2-[[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-ium-1-yl]methyl]-1,3-benzothiazole Traditional Name: 2-[[4-(2-isopropyl-6-methyl-pyrimidin-4-yl)piperazin-1-ium-1-yl]methyl]-1,3-benzothiazole Formula: C20H26N5S+ MolecularWeight: 368.51894

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)C(C)C)N2CC[NH+](CC2)CC3=NC4=CC=CC=C4S3

Isomeric SMILES

CC1=CC(=NC(=N1)C(C)C)N2CC[NH+](CC2)CC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C20H25N5S/c1-14(2)20-21-15(3)12-18(23-20)25-10-8-24(9-11-25)13-19-22-16-6-4-5-7-17(16)26-19/h4-7,12,14H,8-11,13H2,1-3H3/p+1