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

Systemtic Name: 1-[1-(1,3-benzodioxol-5-ylmethyl)piperidin-1-ium-4-yl]-N,N-diethyl-1,2,3-triazole-4-carboxamide Openeye Name: 1-[1-(1,3-benzodioxol-5-ylmethyl)piperidin-1-ium-4-yl]-N,N-diethyl-triazole-4-carboxamide CAS Name: 1-[1-(1,3-benzodioxol-5-ylmethyl)-4-piperidin-1-iumyl]-N,N-diethyl-4-triazolecarboxamide IUPAC Name: 1-[1-(1,3-benzodioxol-5-ylmethyl)piperidin-1-ium-4-yl]-N,N-diethyltriazole-4-carboxamide Traditional Name: N,N-diethyl-1-(1-piperonylpiperidin-1-ium-4-yl)triazole-4-carboxamide Formula: C20H28N5O3+ MolecularWeight: 386.46802

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H27N5O3/c1-3-24(4-2)20(26)17-13-25(22-21-17)16-7-9-23(10-8-16)12-15-5-6-18-19(11-15)28-14-27-18/h5-6,11,13,16H,3-4,7-10,12,14H2,1-2H3/p+1