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

Systemtic Name: (3S)-1-ethyl-N-[[2-(2-methylphenoxy)pyridin-3-yl]methyl]piperidin-1-ium-3-carboxamide Openeye Name: (3S)-1-ethyl-N-[[2-(2-methylphenoxy)-3-pyridyl]methyl]piperidin-1-ium-3-carboxamide CAS Name: (3S)-1-ethyl-N-[[2-(2-methylphenoxy)-3-pyridinyl]methyl]-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-1-ethyl-N-[[2-(2-methylphenoxy)pyridin-3-yl]methyl]piperidin-1-ium-3-carboxamide Traditional Name: (3S)-1-ethyl-N-[[2-(2-methylphenoxy)-3-pyridyl]methyl]piperidin-1-ium-3-carboxamide Formula: C21H28N3O2+ MolecularWeight: 354.46592

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCCC(C1)C(=O)NCC2=C(N=CC=C2)OC3=CC=CC=C3C

Isomeric SMILES

CC[NH+]1CCC[C@@H](C1)C(=O)NCC2=C(N=CC=C2)OC3=CC=CC=C3C

InChI

InChI=1S/C21H27N3O2/c1-3-24-13-7-10-18(15-24)20(25)23-14-17-9-6-12-22-21(17)26-19-11-5-4-8-16(19)2/h4-6,8-9,11-12,18H,3,7,10,13-15H2,1-2H3,(H,23,25)/p+1/t18-/m0/s1