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

Systemtic Name: N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-yl-ethyl]-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide Openeye Name: N-[(2S)-2-(2-furyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-5-(p-tolyl)isoxazole-3-carboxamide CAS Name: N-[(2S)-2-(2-furanyl)-2-(1-pyrrolidin-1-iumyl)ethyl]-5-(4-methylphenyl)-3-isoxazolecarboxamide IUPAC Name: N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-ylethyl]-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide Traditional Name: N-[(2S)-2-(2-furyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-5-(p-tolyl)isoxazole-3-carboxamide Formula: C21H24N3O3+ MolecularWeight: 366.43356

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CC(=NO2)C(=O)NCC(C3=CC=CO3)[NH+]4CCCC4

Isomeric SMILES

CC1=CC=C(C=C1)C2=CC(=NO2)C(=O)NC[C@@H](C3=CC=CO3)[NH+]4CCCC4

InChI

InChI=1S/C21H23N3O3/c1-15-6-8-16(9-7-15)20-13-17(23-27-20)21(25)22-14-18(19-5-4-12-26-19)24-10-2-3-11-24/h4-9,12-13,18H,2-3,10-11,14H2,1H3,(H,22,25)/p+1/t18-/m0/s1