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

Systemtic Name: N,N-diethyl-1-[(3S)-1-(3-methylbut-2-enyl)piperidin-1-ium-3-yl]-1,2,3-triazole-4-carboxamide Openeye Name: N,N-diethyl-1-[(3S)-1-(3-methylbut-2-enyl)piperidin-1-ium-3-yl]triazole-4-carboxamide CAS Name: N,N-diethyl-1-[(3S)-1-(3-methylbut-2-enyl)-3-piperidin-1-iumyl]-4-triazolecarboxamide IUPAC Name: N,N-diethyl-1-[(3S)-1-(3-methylbut-2-enyl)piperidin-1-ium-3-yl]triazole-4-carboxamide Traditional Name: N,N-diethyl-1-[(3S)-1-(3-methylbut-2-enyl)piperidin-1-ium-3-yl]triazole-4-carboxamide Formula: C17H30N5O+ MolecularWeight: 320.453

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H29N5O/c1-5-21(6-2)17(23)16-13-22(19-18-16)15-8-7-10-20(12-15)11-9-14(3)4/h9,13,15H,5-8,10-12H2,1-4H3/p+1/t15-/m0/s1