1-[1-(1,3-benzodioxol-5-ylmethyl)piperidin-1-ium-4-yl]-N-(2-methoxyethyl)-1,2,3-triazole-4-carboxamide

Systemtic Name: 1-[1-(1,3-benzodioxol-5-ylmethyl)piperidin-1-ium-4-yl]-N-(2-methoxyethyl)-1,2,3-triazole-4-carboxamide Openeye Name: 1-[1-(1,3-benzodioxol-5-ylmethyl)piperidin-1-ium-4-yl]-N-(2-methoxyethyl)triazole-4-carboxamide CAS Name: 1-[1-(1,3-benzodioxol-5-ylmethyl)-4-piperidin-1-iumyl]-N-(2-methoxyethyl)-4-triazolecarboxamide IUPAC Name: 1-[1-(1,3-benzodioxol-5-ylmethyl)piperidin-1-ium-4-yl]-N-(2-methoxyethyl)triazole-4-carboxamide Traditional Name: N-(2-methoxyethyl)-1-(1-piperonylpiperidin-1-ium-4-yl)triazole-4-carboxamide Formula: C19H26N5O4+ MolecularWeight: 388.44084

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Descriptors Computed from Structure

Canonical SMILES:

COCCNC(=O)C1=CN(N=N1)C2CC[NH+](CC2)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

COCCNC(=O)C1=CN(N=N1)C2CC[NH+](CC2)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C19H25N5O4/c1-26-9-6-20-19(25)16-12-24(22-21-16)15-4-7-23(8-5-15)11-14-2-3-17-18(10-14)28-13-27-17/h2-3,10,12,15H,4-9,11,13H2,1H3,(H,20,25)/p+1