5-(4-ethoxyphenyl)-N-[(2S)-2-piperidin-1-ium-1-yl-2-thiophen-2-yl-ethyl]-1,2-oxazole-3-carboxamide

Systemtic Name: 5-(4-ethoxyphenyl)-N-[(2S)-2-piperidin-1-ium-1-yl-2-thiophen-2-yl-ethyl]-1,2-oxazole-3-carboxamide Openeye Name: 5-(4-ethoxyphenyl)-N-[(2S)-2-piperidin-1-ium-1-yl-2-(2-thienyl)ethyl]isoxazole-3-carboxamide CAS Name: 5-(4-ethoxyphenyl)-N-[(2S)-2-(1-piperidin-1-iumyl)-2-thiophen-2-ylethyl]-3-isoxazolecarboxamide IUPAC Name: 5-(4-ethoxyphenyl)-N-[(2S)-2-piperidin-1-ium-1-yl-2-thiophen-2-ylethyl]-1,2-oxazole-3-carboxamide Traditional Name: N-[(2S)-2-piperidin-1-ium-1-yl-2-(2-thienyl)ethyl]-5-p-phenetyl-isoxazole-3-carboxamide Formula: C23H28N3O3S+ MolecularWeight: 426.55172

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=CC(=NO2)C(=O)NCC(C3=CC=CS3)[NH+]4CCCCC4

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=CC(=NO2)C(=O)NC[C@@H](C3=CC=CS3)[NH+]4CCCCC4

InChI

InChI=1S/C23H27N3O3S/c1-2-28-18-10-8-17(9-11-18)21-15-19(25-29-21)23(27)24-16-20(22-7-6-14-30-22)26-12-4-3-5-13-26/h6-11,14-15,20H,2-5,12-13,16H2,1H3,(H,24,27)/p+1/t20-/m0/s1