(3S)-1-[[2-(2-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N,N-diethyl-piperidin-1-ium-3-carboxamide

Systemtic Name: (3S)-1-[[2-(2-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N,N-diethyl-piperidin-1-ium-3-carboxamide Openeye Name: (3S)-1-[[2-(2-ethoxyphenyl)-5-methyl-oxazol-4-yl]methyl]-N,N-diethyl-piperidin-1-ium-3-carboxamide CAS Name: (3S)-1-[[2-(2-ethoxyphenyl)-5-methyl-4-oxazolyl]methyl]-N,N-diethyl-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-1-[[2-(2-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N,N-diethylpiperidin-1-ium-3-carboxamide Traditional Name: (3S)-N,N-diethyl-1-[(5-methyl-2-o-phenetyl-oxazol-4-yl)methyl]piperidin-1-ium-3-carboxamide Formula: C23H34N3O3+ MolecularWeight: 400.53436

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1CCC[NH+](C1)CC2=C(OC(=N2)C3=CC=CC=C3OCC)C

Isomeric SMILES

CCN(CC)C(=O)[C@H]1CCC[NH+](C1)CC2=C(OC(=N2)C3=CC=CC=C3OCC)C

InChI

InChI=1S/C23H33N3O3/c1-5-26(6-2)23(27)18-11-10-14-25(15-18)16-20-17(4)29-22(24-20)19-12-8-9-13-21(19)28-7-3/h8-9,12-13,18H,5-7,10-11,14-16H2,1-4H3/p+1/t18-/m0/s1