(2S)-N-[(2R)-2-(azepan-1-ium-1-yl)-2-phenyl-ethyl]oxolane-2-carboxamide

Systemtic Name: (2S)-N-[(2R)-2-(azepan-1-ium-1-yl)-2-phenyl-ethyl]oxolane-2-carboxamide Openeye Name: (2S)-N-[(2R)-2-(azepan-1-ium-1-yl)-2-phenyl-ethyl]tetrahydrofuran-2-carboxamide CAS Name: (2S)-N-[(2R)-2-(1-azepan-1-iumyl)-2-phenylethyl]-2-oxolanecarboxamide IUPAC Name: (2S)-N-[(2R)-2-(azepan-1-ium-1-yl)-2-phenylethyl]oxolane-2-carboxamide Traditional Name: (2S)-N-[(2R)-2-(azepan-1-ium-1-yl)-2-phenyl-ethyl]tetrahydrofuran-2-carboxamide Formula: C19H29N2O2+ MolecularWeight: 317.44576

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)C(CNC(=O)C2CCCO2)C3=CC=CC=C3

Isomeric SMILES

C1CCC[NH+](CC1)[C@@H](CNC(=O)[C@@H]2CCCO2)C3=CC=CC=C3

InChI

InChI=1S/C19H28N2O2/c22-19(18-11-8-14-23-18)20-15-17(16-9-4-3-5-10-16)21-12-6-1-2-7-13-21/h3-5,9-10,17-18H,1-2,6-8,11-15H2,(H,20,22)/p+1/t17-,18-/m0/s1