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

Systemtic Name: 5-(4-ethoxyphenyl)-N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ium-1-yl-ethyl]-1,2-oxazole-3-carboxamide Openeye Name: 5-(4-ethoxyphenyl)-N-[(2S)-2-(2-furyl)-2-piperidin-1-ium-1-yl-ethyl]isoxazole-3-carboxamide CAS Name: 5-(4-ethoxyphenyl)-N-[(2S)-2-(2-furanyl)-2-(1-piperidin-1-iumyl)ethyl]-3-isoxazolecarboxamide IUPAC Name: 5-(4-ethoxyphenyl)-N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ium-1-ylethyl]-1,2-oxazole-3-carboxamide Traditional Name: N-[(2S)-2-(2-furyl)-2-piperidin-1-ium-1-yl-ethyl]-5-p-phenetyl-isoxazole-3-carboxamide Formula: C23H28N3O4+ MolecularWeight: 410.48612

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=CC(=NO2)C(=O)NCC(C3=CC=CO3)[NH+]4CCCCC4

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=CC(=NO2)C(=O)NC[C@@H](C3=CC=CO3)[NH+]4CCCCC4

InChI

InChI=1S/C23H27N3O4/c1-2-28-18-10-8-17(9-11-18)22-15-19(25-30-22)23(27)24-16-20(21-7-6-14-29-21)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