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

Systemtic Name: N-[(2S)-2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ium-1-yl-ethyl]-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide Openeye Name: N-[(2S)-2-(5-methyl-2-furyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-5-(p-tolyl)isoxazole-3-carboxamide CAS Name: N-[(2S)-2-(5-methyl-2-furanyl)-2-(1-pyrrolidin-1-iumyl)ethyl]-5-(4-methylphenyl)-3-isoxazolecarboxamide IUPAC Name: N-[(2S)-2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ium-1-ylethyl]-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide Traditional Name: N-[(2S)-2-(5-methyl-2-furyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-5-(p-tolyl)isoxazole-3-carboxamide Formula: C22H26N3O3+ MolecularWeight: 380.46014

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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+]4CCCC4

Isomeric SMILES

CC1=CC=C(C=C1)C2=CC(=NO2)C(=O)NC[C@@H](C3=CC=C(O3)C)[NH+]4CCCC4

InChI

InChI=1S/C22H25N3O3/c1-15-5-8-17(9-6-15)21-13-18(24-28-21)22(26)23-14-19(25-11-3-4-12-25)20-10-7-16(2)27-20/h5-10,13,19H,3-4,11-12,14H2,1-2H3,(H,23,26)/p+1/t19-/m0/s1