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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=CN(N=N1)C2CCC[NH+](C2)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCN(CC)C(=O)C1=CN(N=N1)[C@H]2CCC[NH+](C2)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C20H27N5O3/c1-3-24(4-2)20(26)17-13-25(22-21-17)16-6-5-9-23(12-16)11-15-7-8-18-19(10-15)28-14-27-18/h7-8,10,13,16H,3-6,9,11-12,14H2,1-2H3/p+1/t16-/m0/s1