4-tert-butyl-N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ium-1-yl-ethyl]benzamide

Systemtic Name: 4-tert-butyl-N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ium-1-yl-ethyl]benzamide Openeye Name: 4-tert-butyl-N-[(2S)-2-(2-furyl)-2-piperidin-1-ium-1-yl-ethyl]benzamide CAS Name: 4-tert-butyl-N-[(2S)-2-(2-furanyl)-2-(1-piperidin-1-iumyl)ethyl]benzamide IUPAC Name: 4-tert-butyl-N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ium-1-ylethyl]benzamide Traditional Name: 4-tert-butyl-N-[(2S)-2-(2-furyl)-2-piperidin-1-ium-1-yl-ethyl]benzamide Formula: C22H31N2O2+ MolecularWeight: 355.49374

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)NCC(C2=CC=CO2)[NH+]3CCCCC3

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)NC[C@@H](C2=CC=CO2)[NH+]3CCCCC3

InChI

InChI=1S/C22H30N2O2/c1-22(2,3)18-11-9-17(10-12-18)21(25)23-16-19(20-8-7-15-26-20)24-13-5-4-6-14-24/h7-12,15,19H,4-6,13-14,16H2,1-3H3,(H,23,25)/p+1/t19-/m0/s1