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

Systemtic Name: N,N-diethyl-1-[[(3S)-1-(1-ethylpiperidin-4-yl)piperidin-1-ium-3-yl]methyl]-1,2,3-triazole-4-carboxamide Openeye Name: N,N-diethyl-1-[[(3S)-1-(1-ethyl-4-piperidyl)piperidin-1-ium-3-yl]methyl]triazole-4-carboxamide CAS Name: N,N-diethyl-1-[[(3S)-1-(1-ethyl-4-piperidinyl)-3-piperidin-1-iumyl]methyl]-4-triazolecarboxamide IUPAC Name: N,N-diethyl-1-[[(3S)-1-(1-ethylpiperidin-4-yl)piperidin-1-ium-3-yl]methyl]triazole-4-carboxamide Traditional Name: N,N-diethyl-1-[[(3S)-1-(1-ethyl-4-piperidyl)piperidin-1-ium-3-yl]methyl]triazole-4-carboxamide Formula: C20H37N6O+ MolecularWeight: 377.54738

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCC(CC1)[NH+]2CCCC(C2)CN3C=C(N=N3)C(=O)N(CC)CC

Isomeric SMILES

CCN1CCC(CC1)[NH+]2CCC[C@@H](C2)CN3C=C(N=N3)C(=O)N(CC)CC

InChI

InChI=1S/C20H36N6O/c1-4-23-12-9-18(10-13-23)25-11-7-8-17(14-25)15-26-16-19(21-22-26)20(27)24(5-2)6-3/h16-18H,4-15H2,1-3H3/p+1/t17-/m0/s1