(2S)-N-(4-phenoxyphenyl)pyrrolidin-1-ium-2-carboxamide

Systemtic Name: (2S)-N-(4-phenoxyphenyl)pyrrolidin-1-ium-2-carboxamide Openeye Name: (2S)-N-(4-phenoxyphenyl)pyrrolidin-1-ium-2-carboxamide CAS Name: (2S)-N-(4-phenoxyphenyl)-2-pyrrolidin-1-iumcarboxamide IUPAC Name: (2S)-N-(4-phenoxyphenyl)pyrrolidin-1-ium-2-carboxamide Traditional Name: (2S)-N-(4-phenoxyphenyl)pyrrolidin-1-ium-2-carboxamide Formula: C17H19N2O2+ MolecularWeight: 283.34496

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Descriptors Computed from Structure

Canonical SMILES:

C1CC([NH2+]C1)C(=O)NC2=CC=C(C=C2)OC3=CC=CC=C3

Isomeric SMILES

C1C[C@H]([NH2+]C1)C(=O)NC2=CC=C(C=C2)OC3=CC=CC=C3

InChI

InChI=1S/C17H18N2O2/c20-17(16-7-4-12-18-16)19-13-8-10-15(11-9-13)21-14-5-2-1-3-6-14/h1-3,5-6,8-11,16,18H,4,7,12H2,(H,19,20)/p+1/t16-/m0/s1