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

Systemtic Name: 5-(4-methylphenyl)-N-[(2S)-2-pyrrolidin-1-ium-1-yl-2-thiophen-2-yl-ethyl]-1,2-oxazole-3-carboxamide Openeye Name: 5-(p-tolyl)-N-[(2S)-2-pyrrolidin-1-ium-1-yl-2-(2-thienyl)ethyl]isoxazole-3-carboxamide CAS Name: 5-(4-methylphenyl)-N-[(2S)-2-(1-pyrrolidin-1-iumyl)-2-thiophen-2-ylethyl]-3-isoxazolecarboxamide IUPAC Name: 5-(4-methylphenyl)-N-[(2S)-2-pyrrolidin-1-ium-1-yl-2-thiophen-2-ylethyl]-1,2-oxazole-3-carboxamide Traditional Name: 5-(p-tolyl)-N-[(2S)-2-pyrrolidin-1-ium-1-yl-2-(2-thienyl)ethyl]isoxazole-3-carboxamide Formula: C21H24N3O2S+ MolecularWeight: 382.49916

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CC(=NO2)C(=O)NCC(C3=CC=CS3)[NH+]4CCCC4

Isomeric SMILES

CC1=CC=C(C=C1)C2=CC(=NO2)C(=O)NC[C@@H](C3=CC=CS3)[NH+]4CCCC4

InChI

InChI=1S/C21H23N3O2S/c1-15-6-8-16(9-7-15)19-13-17(23-26-19)21(25)22-14-18(20-5-4-12-27-20)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