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

Systemtic Name: 1-[(3S)-1-(1,3-benzodioxol-5-ylmethyl)piperidin-1-ium-3-yl]-N-cyclopentyl-1,2,3-triazole-4-carboxamide Openeye Name: 1-[(3S)-1-(1,3-benzodioxol-5-ylmethyl)piperidin-1-ium-3-yl]-N-cyclopentyl-triazole-4-carboxamide CAS Name: 1-[(3S)-1-(1,3-benzodioxol-5-ylmethyl)-3-piperidin-1-iumyl]-N-cyclopentyl-4-triazolecarboxamide IUPAC Name: 1-[(3S)-1-(1,3-benzodioxol-5-ylmethyl)piperidin-1-ium-3-yl]-N-cyclopentyltriazole-4-carboxamide Traditional Name: N-cyclopentyl-1-[(3S)-1-piperonylpiperidin-1-ium-3-yl]triazole-4-carboxamide Formula: C21H28N5O3+ MolecularWeight: 398.47872

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)NC(=O)C2=CN(N=N2)C3CCC[NH+](C3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CCC(C1)NC(=O)C2=CN(N=N2)[C@H]3CCC[NH+](C3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C21H27N5O3/c27-21(22-16-4-1-2-5-16)18-13-26(24-23-18)17-6-3-9-25(12-17)11-15-7-8-19-20(10-15)29-14-28-19/h7-8,10,13,16-17H,1-6,9,11-12,14H2,(H,22,27)/p+1/t17-/m0/s1