4-tert-butyl-N-[(2S)-2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ium-1-yl-ethyl]benzamide

Systemtic Name: 4-tert-butyl-N-[(2S)-2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ium-1-yl-ethyl]benzamide Openeye Name: 4-tert-butyl-N-[(2S)-2-(5-methyl-2-furyl)-2-pyrrolidin-1-ium-1-yl-ethyl]benzamide CAS Name: 4-tert-butyl-N-[(2S)-2-(5-methyl-2-furanyl)-2-(1-pyrrolidin-1-iumyl)ethyl]benzamide IUPAC Name: 4-tert-butyl-N-[(2S)-2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ium-1-ylethyl]benzamide Traditional Name: 4-tert-butyl-N-[(2S)-2-(5-methyl-2-furyl)-2-pyrrolidin-1-ium-1-yl-ethyl]benzamide Formula: C22H31N2O2+ MolecularWeight: 355.49374

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)C(CNC(=O)C2=CC=C(C=C2)C(C)(C)C)[NH+]3CCCC3

Isomeric SMILES

CC1=CC=C(O1)[C@H](CNC(=O)C2=CC=C(C=C2)C(C)(C)C)[NH+]3CCCC3

InChI

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