N-[(1S)-1-(azepan-1-ium-1-yl)-2-oxidanylidene-2-phenyl-ethyl]furan-2-carboxamide

Systemtic Name: N-[(1S)-1-(azepan-1-ium-1-yl)-2-oxidanylidene-2-phenyl-ethyl]furan-2-carboxamide Openeye Name: N-[(1S)-1-(azepan-1-ium-1-yl)-2-oxo-2-phenyl-ethyl]furan-2-carboxamide CAS Name: N-[(1S)-1-(1-azepan-1-iumyl)-2-oxo-2-phenylethyl]-2-furancarboxamide IUPAC Name: N-[(1S)-1-(azepan-1-ium-1-yl)-2-oxo-2-phenylethyl]furan-2-carboxamide Traditional Name: N-[(1S)-1-(azepan-1-ium-1-yl)-2-keto-2-phenyl-ethyl]-2-furamide Formula: C19H23N2O3+ MolecularWeight: 327.39752

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)C(C(=O)C2=CC=CC=C2)NC(=O)C3=CC=CO3

Isomeric SMILES

C1CCC[NH+](CC1)[C@@H](C(=O)C2=CC=CC=C2)NC(=O)C3=CC=CO3

InChI

InChI=1S/C19H22N2O3/c22-17(15-9-4-3-5-10-15)18(21-12-6-1-2-7-13-21)20-19(23)16-11-8-14-24-16/h3-5,8-11,14,18H,1-2,6-7,12-13H2,(H,20,23)/p+1/t18-/m0/s1