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

Systemtic Name: 2,5-dimethyl-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]furan-3-carboxamide Openeye Name: 2,5-dimethyl-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]furan-3-carboxamide CAS Name: 2,5-dimethyl-N-[(3S)-1-phenethyl-3-piperidin-1-iumyl]-3-furancarboxamide IUPAC Name: 2,5-dimethyl-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]furan-3-carboxamide Traditional Name: 2,5-dimethyl-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]-3-furamide Formula: C20H27N2O2+ MolecularWeight: 327.44058

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(O1)C)C(=O)NC2CCC[NH+](C2)CCC3=CC=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C20H26N2O2/c1-15-13-19(16(2)24-15)20(23)21-18-9-6-11-22(14-18)12-10-17-7-4-3-5-8-17/h3-5,7-8,13,18H,6,9-12,14H2,1-2H3,(H,21,23)/p+1/t18-/m0/s1