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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1N2C=C(N=N2)C(=O)NCCCO)CC3=CC4=CC=CC=C4N3

Isomeric SMILES

C1C[NH+](CCC1N2C=C(N=N2)C(=O)NCCCO)CC3=CC4=CC=CC=C4N3

InChI

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