N,N-diethyl-1-[[(3S)-1-propan-2-ylpiperidin-1-ium-3-yl]methyl]-1,2,3-triazole-4-carboxamide

Systemtic Name: N,N-diethyl-1-[[(3S)-1-propan-2-ylpiperidin-1-ium-3-yl]methyl]-1,2,3-triazole-4-carboxamide Openeye Name: N,N-diethyl-1-[[(3S)-1-isopropylpiperidin-1-ium-3-yl]methyl]triazole-4-carboxamide CAS Name: N,N-diethyl-1-[[(3S)-1-propan-2-yl-3-piperidin-1-iumyl]methyl]-4-triazolecarboxamide IUPAC Name: N,N-diethyl-1-[[(3S)-1-propan-2-ylpiperidin-1-ium-3-yl]methyl]triazole-4-carboxamide Traditional Name: N,N-diethyl-1-[[(3S)-1-isopropylpiperidin-1-ium-3-yl]methyl]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)CC2CCC[NH+](C2)C(C)C

Isomeric SMILES

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

InChI

InChI=1S/C16H29N5O/c1-5-19(6-2)16(22)15-12-21(18-17-15)11-14-8-7-9-20(10-14)13(3)4/h12-14H,5-11H2,1-4H3/p+1/t14-/m0/s1