3-chloranyl-N-[(2S)-2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ium-1-yl-ethyl]benzamide

Systemtic Name: 3-chloranyl-N-[(2S)-2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ium-1-yl-ethyl]benzamide Openeye Name: 3-chloro-N-[(2S)-2-(5-methyl-2-furyl)-2-pyrrolidin-1-ium-1-yl-ethyl]benzamide CAS Name: 3-chloro-N-[(2S)-2-(5-methyl-2-furanyl)-2-(1-pyrrolidin-1-iumyl)ethyl]benzamide IUPAC Name: 3-chloro-N-[(2S)-2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ium-1-ylethyl]benzamide Traditional Name: 3-chloro-N-[(2S)-2-(5-methyl-2-furyl)-2-pyrrolidin-1-ium-1-yl-ethyl]benzamide Formula: C18H22ClN2O2+ MolecularWeight: 333.83248

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21ClN2O2/c1-13-7-8-17(23-13)16(21-9-2-3-10-21)12-20-18(22)14-5-4-6-15(19)11-14/h4-8,11,16H,2-3,9-10,12H2,1H3,(H,20,22)/p+1/t16-/m0/s1