1-[1-(1,3-benzothiazol-2-ylmethyl)piperidin-1-ium-4-yl]-N-(3-oxidanylpropyl)-1,2,3-triazole-4-carboxamide

Systemtic Name: 1-[1-(1,3-benzothiazol-2-ylmethyl)piperidin-1-ium-4-yl]-N-(3-oxidanylpropyl)-1,2,3-triazole-4-carboxamide Openeye Name: 1-[1-(1,3-benzothiazol-2-ylmethyl)piperidin-1-ium-4-yl]-N-(3-hydroxypropyl)triazole-4-carboxamide CAS Name: 1-[1-(1,3-benzothiazol-2-ylmethyl)-4-piperidin-1-iumyl]-N-(3-hydroxypropyl)-4-triazolecarboxamide IUPAC Name: 1-[1-(1,3-benzothiazol-2-ylmethyl)piperidin-1-ium-4-yl]-N-(3-hydroxypropyl)triazole-4-carboxamide Traditional Name: 1-[1-(1,3-benzothiazol-2-ylmethyl)piperidin-1-ium-4-yl]-N-(3-hydroxypropyl)triazole-4-carboxamide Formula: C19H25N6O2S+ MolecularWeight: 401.5058

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1N2C=C(N=N2)C(=O)NCCCO)CC3=NC4=CC=CC=C4S3

Isomeric SMILES

C1C[NH+](CCC1N2C=C(N=N2)C(=O)NCCCO)CC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C19H24N6O2S/c26-11-3-8-20-19(27)16-12-25(23-22-16)14-6-9-24(10-7-14)13-18-21-15-4-1-2-5-17(15)28-18/h1-2,4-5,12,14,26H,3,6-11,13H2,(H,20,27)/p+1