N-(1H-indol-2-ylmethyl)-1-(2-piperidin-1-ium-1-ylethyl)-1,2,3-triazole-4-carboxamide

Systemtic Name: N-(1H-indol-2-ylmethyl)-1-(2-piperidin-1-ium-1-ylethyl)-1,2,3-triazole-4-carboxamide Openeye Name: N-(1H-indol-2-ylmethyl)-1-(2-piperidin-1-ium-1-ylethyl)triazole-4-carboxamide CAS Name: N-(1H-indol-2-ylmethyl)-1-[2-(1-piperidin-1-iumyl)ethyl]-4-triazolecarboxamide IUPAC Name: N-(1H-indol-2-ylmethyl)-1-(2-piperidin-1-ium-1-ylethyl)triazole-4-carboxamide Traditional Name: N-(1H-indol-2-ylmethyl)-1-(2-piperidin-1-ium-1-ylethyl)triazole-4-carboxamide Formula: C19H25N6O+ MolecularWeight: 353.4414

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CCN2C=C(N=N2)C(=O)NCC3=CC4=CC=CC=C4N3

Isomeric SMILES

C1CC[NH+](CC1)CCN2C=C(N=N2)C(=O)NCC3=CC4=CC=CC=C4N3

InChI

InChI=1S/C19H24N6O/c26-19(20-13-16-12-15-6-2-3-7-17(15)21-16)18-14-25(23-22-18)11-10-24-8-4-1-5-9-24/h2-3,6-7,12,14,21H,1,4-5,8-11,13H2,(H,20,26)/p+1