N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]furan-3-carboxamide

Systemtic Name: N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]furan-3-carboxamide Openeye Name: N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]furan-3-carboxamide CAS Name: N-[(3S)-1-phenethyl-3-piperidin-1-iumyl]-3-furancarboxamide IUPAC Name: N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]furan-3-carboxamide Traditional Name: N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]-3-furamide Formula: C18H23N2O2+ MolecularWeight: 299.38742

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CCC2=CC=CC=C2)NC(=O)C3=COC=C3

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CCC2=CC=CC=C2)NC(=O)C3=COC=C3

InChI

InChI=1S/C18H22N2O2/c21-18(16-9-12-22-14-16)19-17-7-4-10-20(13-17)11-8-15-5-2-1-3-6-15/h1-3,5-6,9,12,14,17H,4,7-8,10-11,13H2,(H,19,21)/p+1/t17-/m0/s1