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

Systemtic Name: 1-[(3S)-1-(furan-2-ylmethyl)piperidin-1-ium-3-yl]-N-propan-2-yl-1,2,3-triazole-4-carboxamide Openeye Name: 1-[(3S)-1-(2-furylmethyl)piperidin-1-ium-3-yl]-N-isopropyl-triazole-4-carboxamide CAS Name: 1-[(3S)-1-(2-furanylmethyl)-3-piperidin-1-iumyl]-N-propan-2-yl-4-triazolecarboxamide IUPAC Name: 1-[(3S)-1-(furan-2-ylmethyl)piperidin-1-ium-3-yl]-N-propan-2-yltriazole-4-carboxamide Traditional Name: 1-[(3S)-1-(2-furfuryl)piperidin-1-ium-3-yl]-N-isopropyl-triazole-4-carboxamide Formula: C16H24N5O2+ MolecularWeight: 318.39406

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)C1=CN(N=N1)C2CCC[NH+](C2)CC3=CC=CO3

Isomeric SMILES

CC(C)NC(=O)C1=CN(N=N1)[C@H]2CCC[NH+](C2)CC3=CC=CO3

InChI

InChI=1S/C16H23N5O2/c1-12(2)17-16(22)15-11-21(19-18-15)13-5-3-7-20(9-13)10-14-6-4-8-23-14/h4,6,8,11-13H,3,5,7,9-10H2,1-2H3,(H,17,22)/p+1/t13-/m0/s1