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

Systemtic Name: 1-[(3S)-1-(1H-indol-2-ylmethyl)piperidin-1-ium-3-yl]-N-(3-oxidanylpropyl)-1,2,3-triazole-4-carboxamide Openeye Name: N-(3-hydroxypropyl)-1-[(3S)-1-(1H-indol-2-ylmethyl)piperidin-1-ium-3-yl]triazole-4-carboxamide CAS Name: N-(3-hydroxypropyl)-1-[(3S)-1-(1H-indol-2-ylmethyl)-3-piperidin-1-iumyl]-4-triazolecarboxamide IUPAC Name: N-(3-hydroxypropyl)-1-[(3S)-1-(1H-indol-2-ylmethyl)piperidin-1-ium-3-yl]triazole-4-carboxamide Traditional Name: N-(3-hydroxypropyl)-1-[(3S)-1-(1H-indol-2-ylmethyl)piperidin-1-ium-3-yl]triazole-4-carboxamide Formula: C20H27N6O2+ MolecularWeight: 383.46738

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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)NCCCO

Isomeric SMILES

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

InChI

InChI=1S/C20H26N6O2/c27-10-4-8-21-20(28)19-14-26(24-23-19)17-6-3-9-25(13-17)12-16-11-15-5-1-2-7-18(15)22-16/h1-2,5,7,11,14,17,22,27H,3-4,6,8-10,12-13H2,(H,21,28)/p+1/t17-/m0/s1