2-[(2S)-1-(2H-benzotriazol-5-ylmethyl)piperidin-1-ium-2-yl]-1,3-thiazole

Systemtic Name: 2-[(2S)-1-(2H-benzotriazol-5-ylmethyl)piperidin-1-ium-2-yl]-1,3-thiazole Openeye Name: 2-[(2S)-1-(2H-benzotriazol-5-ylmethyl)piperidin-1-ium-2-yl]thiazole CAS Name: 2-[(2S)-1-(2H-benzotriazol-5-ylmethyl)-2-piperidin-1-iumyl]thiazole IUPAC Name: 2-[(2S)-1-(2H-benzotriazol-5-ylmethyl)piperidin-1-ium-2-yl]-1,3-thiazole Traditional Name: 2-[(2S)-1-(2H-benzotriazol-5-ylmethyl)piperidin-1-ium-2-yl]thiazole Formula: C15H18N5S+ MolecularWeight: 300.40192

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C(C1)C2=NC=CS2)CC3=CC4=NNN=C4C=C3

Isomeric SMILES

C1CC[NH+]([C@@H](C1)C2=NC=CS2)CC3=CC4=NNN=C4C=C3

InChI

InChI=1S/C15H17N5S/c1-2-7-20(14(3-1)15-16-6-8-21-15)10-11-4-5-12-13(9-11)18-19-17-12/h4-6,8-9,14H,1-3,7,10H2,(H,17,18,19)/p+1/t14-/m0/s1