N-(2-hydroxyethyl)-1-[(3S)-1-(quinolin-4-ylmethyl)piperidin-1-ium-3-yl]-1,2,3-triazole-4-carboxamide

Systemtic Name: N-(2-hydroxyethyl)-1-[(3S)-1-(quinolin-4-ylmethyl)piperidin-1-ium-3-yl]-1,2,3-triazole-4-carboxamide Openeye Name: N-(2-hydroxyethyl)-1-[(3S)-1-(4-quinolylmethyl)piperidin-1-ium-3-yl]triazole-4-carboxamide CAS Name: N-(2-hydroxyethyl)-1-[(3S)-1-(4-quinolinylmethyl)-3-piperidin-1-iumyl]-4-triazolecarboxamide IUPAC Name: N-(2-hydroxyethyl)-1-[(3S)-1-(quinolin-4-ylmethyl)piperidin-1-ium-3-yl]triazole-4-carboxamide Traditional Name: N-(2-hydroxyethyl)-1-[(3S)-1-(4-quinolylmethyl)piperidin-1-ium-3-yl]triazole-4-carboxamide Formula: C20H25N6O2+ MolecularWeight: 381.4515

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2=CC=NC3=CC=CC=C23)N4C=C(N=N4)C(=O)NCCO

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC2=CC=NC3=CC=CC=C23)N4C=C(N=N4)C(=O)NCCO

InChI

InChI=1S/C20H24N6O2/c27-11-9-22-20(28)19-14-26(24-23-19)16-4-3-10-25(13-16)12-15-7-8-21-18-6-2-1-5-17(15)18/h1-2,5-8,14,16,27H,3-4,9-13H2,(H,22,28)/p+1/t16-/m0/s1