2-methyl-5-[(S)-[(3S)-3-methylpiperidin-1-ium-1-yl]-(4-propan-2-ylphenyl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol

Systemtic Name: 2-methyl-5-[(S)-[(3S)-3-methylpiperidin-1-ium-1-yl]-(4-propan-2-ylphenyl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol Openeye Name: 5-[(S)-(4-isopropylphenyl)-[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-2-methyl-thiazolo[3,2-b][1,2,4]triazol-6-ol CAS Name: 2-methyl-5-[(S)-[(3S)-3-methyl-1-piperidin-1-iumyl]-(4-propan-2-ylphenyl)methyl]-6-thiazolo[3,2-b][1,2,4]triazolol IUPAC Name: 2-methyl-5-[(S)-[(3S)-3-methylpiperidin-1-ium-1-yl]-(4-propan-2-ylphenyl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol Traditional Name: 2-methyl-5-[(S)-[(3S)-3-methylpiperidin-1-ium-1-yl]-p-cumenyl-methyl]thiazolo[3,2-b][1,2,4]triazol-6-ol Formula: C21H29N4OS+ MolecularWeight: 385.54616

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[NH+](C1)C(C2=CC=C(C=C2)C(C)C)C3=C(N4C(=NC(=N4)C)S3)O

Isomeric SMILES

C[C@H]1CCC[NH+](C1)[C@@H](C2=CC=C(C=C2)C(C)C)C3=C(N4C(=NC(=N4)C)S3)O

InChI

InChI=1S/C21H28N4OS/c1-13(2)16-7-9-17(10-8-16)18(24-11-5-6-14(3)12-24)19-20(26)25-21(27-19)22-15(4)23-25/h7-10,13-14,18,26H,5-6,11-12H2,1-4H3/p+1/t14-,18-/m0/s1