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

Systemtic Name: N-(2-hydroxyethyl)-1-[(3S)-1-(1H-indol-2-ylmethyl)piperidin-1-ium-3-yl]-1,2,3-triazole-4-carboxamide Openeye Name: N-(2-hydroxyethyl)-1-[(3S)-1-(1H-indol-2-ylmethyl)piperidin-1-ium-3-yl]triazole-4-carboxamide CAS Name: N-(2-hydroxyethyl)-1-[(3S)-1-(1H-indol-2-ylmethyl)-3-piperidin-1-iumyl]-4-triazolecarboxamide IUPAC Name: N-(2-hydroxyethyl)-1-[(3S)-1-(1H-indol-2-ylmethyl)piperidin-1-ium-3-yl]triazole-4-carboxamide Traditional Name: N-(2-hydroxyethyl)-1-[(3S)-1-(1H-indol-2-ylmethyl)piperidin-1-ium-3-yl]triazole-4-carboxamide Formula: C19H25N6O2+ MolecularWeight: 369.4408

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2=CC3=CC=CC=C3N2)N4C=C(N=N4)C(=O)NCCO

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC2=CC3=CC=CC=C3N2)N4C=C(N=N4)C(=O)NCCO

InChI

InChI=1S/C19H24N6O2/c26-9-7-20-19(27)18-13-25(23-22-18)16-5-3-8-24(12-16)11-15-10-14-4-1-2-6-17(14)21-15/h1-2,4,6,10,13,16,21,26H,3,5,7-9,11-12H2,(H,20,27)/p+1/t16-/m0/s1