N-[4-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-1,3-thiazol-2-yl]-2H-benzotriazole-5-carboxamide

Systemtic Name: N-[4-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-1,3-thiazol-2-yl]-2H-benzotriazole-5-carboxamide Openeye Name: N-[4-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]thiazol-2-yl]-2H-benzotriazole-5-carboxamide CAS Name: N-[4-[[(3S)-3-methyl-1-piperidin-1-iumyl]methyl]-2-thiazolyl]-2H-benzotriazole-5-carboxamide IUPAC Name: N-[4-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-1,3-thiazol-2-yl]-2H-benzotriazole-5-carboxamide Traditional Name: N-[4-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]thiazol-2-yl]-2H-benzotriazole-5-carboxamide Formula: C17H21N6OS+ MolecularWeight: 357.45324

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[NH+](C1)CC2=CSC(=N2)NC(=O)C3=CC4=NNN=C4C=C3

Isomeric SMILES

C[C@H]1CCC[NH+](C1)CC2=CSC(=N2)NC(=O)C3=CC4=NNN=C4C=C3

InChI

InChI=1S/C17H20N6OS/c1-11-3-2-6-23(8-11)9-13-10-25-17(18-13)19-16(24)12-4-5-14-15(7-12)21-22-20-14/h4-5,7,10-11H,2-3,6,8-9H2,1H3,(H,18,19,24)(H,20,21,22)/p+1/t11-/m0/s1