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

Systemtic Name: N,N-diethyl-1-[1-(2-methylpropyl)piperidin-1-ium-4-yl]-1,2,3-triazole-4-carboxamide Openeye Name: N,N-diethyl-1-(1-isobutylpiperidin-1-ium-4-yl)triazole-4-carboxamide CAS Name: N,N-diethyl-1-[1-(2-methylpropyl)-4-piperidin-1-iumyl]-4-triazolecarboxamide IUPAC Name: N,N-diethyl-1-[1-(2-methylpropyl)piperidin-1-ium-4-yl]triazole-4-carboxamide Traditional Name: N,N-diethyl-1-(1-isobutylpiperidin-1-ium-4-yl)triazole-4-carboxamide Formula: C16H30N5O+ MolecularWeight: 308.4423

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H29N5O/c1-5-20(6-2)16(22)15-12-21(18-17-15)14-7-9-19(10-8-14)11-13(3)4/h12-14H,5-11H2,1-4H3/p+1