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

Systemtic Name: 5-(3,4-dimethylphenyl)-N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ium-1-yl-ethyl]-1,2-oxazole-3-carboxamide Openeye Name: 5-(3,4-dimethylphenyl)-N-[(2S)-2-(2-furyl)-2-piperidin-1-ium-1-yl-ethyl]isoxazole-3-carboxamide CAS Name: 5-(3,4-dimethylphenyl)-N-[(2S)-2-(2-furanyl)-2-(1-piperidin-1-iumyl)ethyl]-3-isoxazolecarboxamide IUPAC Name: 5-(3,4-dimethylphenyl)-N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ium-1-ylethyl]-1,2-oxazole-3-carboxamide Traditional Name: 5-(3,4-dimethylphenyl)-N-[(2S)-2-(2-furyl)-2-piperidin-1-ium-1-yl-ethyl]isoxazole-3-carboxamide Formula: C23H28N3O3+ MolecularWeight: 394.48672

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=CC(=NO2)C(=O)NCC(C3=CC=CO3)[NH+]4CCCCC4)C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=CC(=NO2)C(=O)NC[C@@H](C3=CC=CO3)[NH+]4CCCCC4)C

InChI

InChI=1S/C23H27N3O3/c1-16-8-9-18(13-17(16)2)22-14-19(25-29-22)23(27)24-15-20(21-7-6-12-28-21)26-10-4-3-5-11-26/h6-9,12-14,20H,3-5,10-11,15H2,1-2H3,(H,24,27)/p+1/t20-/m0/s1