N-[(2S)-2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ium-1-yl-ethyl]-5-phenyl-1,2-oxazole-3-carboxamide

Systemtic Name: N-[(2S)-2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ium-1-yl-ethyl]-5-phenyl-1,2-oxazole-3-carboxamide Openeye Name: N-[(2S)-2-(5-methyl-2-furyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-5-phenyl-isoxazole-3-carboxamide CAS Name: N-[(2S)-2-(5-methyl-2-furanyl)-2-(1-pyrrolidin-1-iumyl)ethyl]-5-phenyl-3-isoxazolecarboxamide IUPAC Name: N-[(2S)-2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ium-1-ylethyl]-5-phenyl-1,2-oxazole-3-carboxamide Traditional Name: N-[(2S)-2-(5-methyl-2-furyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-5-phenyl-isoxazole-3-carboxamide Formula: C21H24N3O3+ MolecularWeight: 366.43356

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)C(CNC(=O)C2=NOC(=C2)C3=CC=CC=C3)[NH+]4CCCC4

Isomeric SMILES

CC1=CC=C(O1)[C@H](CNC(=O)C2=NOC(=C2)C3=CC=CC=C3)[NH+]4CCCC4

InChI

InChI=1S/C21H23N3O3/c1-15-9-10-19(26-15)18(24-11-5-6-12-24)14-22-21(25)17-13-20(27-23-17)16-7-3-2-4-8-16/h2-4,7-10,13,18H,5-6,11-12,14H2,1H3,(H,22,25)/p+1/t18-/m0/s1