(2S)-N-[[2-(dimethylamino)pyridin-3-yl]methyl]-1-ethyl-piperidin-1-ium-2-carboxamide

Systemtic Name: (2S)-N-[[2-(dimethylamino)pyridin-3-yl]methyl]-1-ethyl-piperidin-1-ium-2-carboxamide Openeye Name: (2S)-N-[[2-(dimethylamino)-3-pyridyl]methyl]-1-ethyl-piperidin-1-ium-2-carboxamide CAS Name: (2S)-N-[[2-(dimethylamino)-3-pyridinyl]methyl]-1-ethyl-2-piperidin-1-iumcarboxamide IUPAC Name: (2S)-N-[[2-(dimethylamino)pyridin-3-yl]methyl]-1-ethylpiperidin-1-ium-2-carboxamide Traditional Name: (2S)-N-[[2-(dimethylamino)-3-pyridyl]methyl]-1-ethyl-piperidin-1-ium-2-carboxamide Formula: C16H27N4O+ MolecularWeight: 291.41178

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCCCC1C(=O)NCC2=C(N=CC=C2)N(C)C

Isomeric SMILES

CC[NH+]1CCCC[C@H]1C(=O)NCC2=C(N=CC=C2)N(C)C

InChI

InChI=1S/C16H26N4O/c1-4-20-11-6-5-9-14(20)16(21)18-12-13-8-7-10-17-15(13)19(2)3/h7-8,10,14H,4-6,9,11-12H2,1-3H3,(H,18,21)/p+1/t14-/m0/s1