N,3,5-trimethyl-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]furan-2-carboxamide

Systemtic Name: N,3,5-trimethyl-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]furan-2-carboxamide Openeye Name: N,3,5-trimethyl-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]furan-2-carboxamide CAS Name: N,3,5-trimethyl-N-[(3S)-1-phenethyl-3-piperidin-1-iumyl]-2-furancarboxamide IUPAC Name: N,3,5-trimethyl-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]furan-2-carboxamide Traditional Name: N,3,5-trimethyl-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]-2-furamide Formula: C21H29N2O2+ MolecularWeight: 341.46716

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(O1)C(=O)N(C)C2CCC[NH+](C2)CCC3=CC=CC=C3)C

Isomeric SMILES

CC1=CC(=C(O1)C(=O)N(C)[C@H]2CCC[NH+](C2)CCC3=CC=CC=C3)C

InChI

InChI=1S/C21H28N2O2/c1-16-14-17(2)25-20(16)21(24)22(3)19-10-7-12-23(15-19)13-11-18-8-5-4-6-9-18/h4-6,8-9,14,19H,7,10-13,15H2,1-3H3/p+1/t19-/m0/s1