(3S)-N-[(1R)-3-(1H-imidazol-3-ium-3-yl)-1-phenyl-propyl]oxolane-3-carboxamide

Systemtic Name: (3S)-N-[(1R)-3-(1H-imidazol-3-ium-3-yl)-1-phenyl-propyl]oxolane-3-carboxamide Openeye Name: (3S)-N-[(1R)-3-(1H-imidazol-3-ium-3-yl)-1-phenyl-propyl]tetrahydrofuran-3-carboxamide CAS Name: (3S)-N-[(1R)-3-(1H-imidazol-3-ium-3-yl)-1-phenylpropyl]-3-oxolanecarboxamide IUPAC Name: (3S)-N-[(1R)-3-(1H-imidazol-3-ium-3-yl)-1-phenylpropyl]oxolane-3-carboxamide Traditional Name: (3S)-N-[(1R)-3-(1H-imidazol-3-ium-3-yl)-1-phenyl-propyl]tetrahydrofuran-3-carboxamide Formula: C17H22N3O2+ MolecularWeight: 300.37548

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC1C(=O)NC(CC[N+]2=CNC=C2)C3=CC=CC=C3

Isomeric SMILES

C1COC[C@H]1C(=O)N[C@H](CC[N+]2=CNC=C2)C3=CC=CC=C3

InChI

InChI=1S/C17H21N3O2/c21-17(15-7-11-22-12-15)19-16(14-4-2-1-3-5-14)6-9-20-10-8-18-13-20/h1-5,8,10,13,15-16H,6-7,9,11-12H2,(H,19,21)/p+1/t15-,16+/m0/s1