1-[(3S)-1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperidin-1-ium-3-yl]-N-propan-2-yl-1,2,3-triazole-4-carboxamide

Systemtic Name: 1-[(3S)-1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperidin-1-ium-3-yl]-N-propan-2-yl-1,2,3-triazole-4-carboxamide Openeye Name: 1-[(3S)-1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperidin-1-ium-3-yl]-N-isopropyl-triazole-4-carboxamide CAS Name: 1-[(3S)-1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-piperidin-1-iumyl]-N-propan-2-yl-4-triazolecarboxamide IUPAC Name: 1-[(3S)-1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperidin-1-ium-3-yl]-N-propan-2-yltriazole-4-carboxamide Traditional Name: 1-[(3S)-1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperidin-1-ium-3-yl]-N-isopropyl-triazole-4-carboxamide Formula: C20H28N5O3+ MolecularWeight: 386.46802

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)C1=CN(N=N1)C2CCC[NH+](C2)CC3=CC4=C(C=C3)OCCO4

Isomeric SMILES

CC(C)NC(=O)C1=CN(N=N1)[C@H]2CCC[NH+](C2)CC3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C20H27N5O3/c1-14(2)21-20(26)17-13-25(23-22-17)16-4-3-7-24(12-16)11-15-5-6-18-19(10-15)28-9-8-27-18/h5-6,10,13-14,16H,3-4,7-9,11-12H2,1-2H3,(H,21,26)/p+1/t16-/m0/s1