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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CC(=NO2)C(=O)NCC(C3=CC=C(O3)C)[NH+]4CCCCC4

Isomeric SMILES

CC1=CC=C(C=C1)C2=CC(=NO2)C(=O)NC[C@@H](C3=CC=C(O3)C)[NH+]4CCCCC4

InChI

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