N-[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide

Systemtic Name: N-[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide Openeye Name: N-[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-5-methyl-3-phenyl-isoxazole-4-carboxamide CAS Name: N-[(2S)-2-(4-methoxyphenyl)-2-(1-pyrrolidin-1-iumyl)ethyl]-5-methyl-3-phenyl-4-isoxazolecarboxamide IUPAC Name: N-[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-ylethyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide Traditional Name: N-[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-5-methyl-3-phenyl-isoxazole-4-carboxamide Formula: C24H28N3O3+ MolecularWeight: 406.49742

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)NCC(C3=CC=C(C=C3)OC)[NH+]4CCCC4

Isomeric SMILES

CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)NC[C@H](C3=CC=C(C=C3)OC)[NH+]4CCCC4

InChI

InChI=1S/C24H27N3O3/c1-17-22(23(26-30-17)19-8-4-3-5-9-19)24(28)25-16-21(27-14-6-7-15-27)18-10-12-20(29-2)13-11-18/h3-5,8-13,21H,6-7,14-16H2,1-2H3,(H,25,28)/p+1/t21-/m1/s1