N-methyl-N-[(3S)-1-methylpyrrolidin-1-ium-3-yl]-2-(phenoxymethyl)-1,3-oxazole-4-carboxamide

Systemtic Name: N-methyl-N-[(3S)-1-methylpyrrolidin-1-ium-3-yl]-2-(phenoxymethyl)-1,3-oxazole-4-carboxamide Openeye Name: N-methyl-N-[(3S)-1-methylpyrrolidin-1-ium-3-yl]-2-(phenoxymethyl)oxazole-4-carboxamide CAS Name: N-methyl-N-[(3S)-1-methyl-3-pyrrolidin-1-iumyl]-2-(phenoxymethyl)-4-oxazolecarboxamide IUPAC Name: N-methyl-N-[(3S)-1-methylpyrrolidin-1-ium-3-yl]-2-(phenoxymethyl)-1,3-oxazole-4-carboxamide Traditional Name: N-methyl-N-[(3S)-1-methylpyrrolidin-1-ium-3-yl]-2-(phenoxymethyl)oxazole-4-carboxamide Formula: C17H22N3O3+ MolecularWeight: 316.37488

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(C1)N(C)C(=O)C2=COC(=N2)COC3=CC=CC=C3

Isomeric SMILES

C[NH+]1CC[C@@H](C1)N(C)C(=O)C2=COC(=N2)COC3=CC=CC=C3

InChI

InChI=1S/C17H21N3O3/c1-19-9-8-13(10-19)20(2)17(21)15-11-23-16(18-15)12-22-14-6-4-3-5-7-14/h3-7,11,13H,8-10,12H2,1-2H3/p+1/t13-/m0/s1