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

Systemtic Name: N-[(2S)-2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ium-1-yl-ethyl]-2-(3-methylphenoxy)ethanamide Openeye Name: N-[(2S)-2-(5-methyl-2-furyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-2-(3-methylphenoxy)acetamide CAS Name: N-[(2S)-2-(5-methyl-2-furanyl)-2-(1-pyrrolidin-1-iumyl)ethyl]-2-(3-methylphenoxy)acetamide IUPAC Name: N-[(2S)-2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ium-1-ylethyl]-2-(3-methylphenoxy)acetamide Traditional Name: N-[(2S)-2-(5-methyl-2-furyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-2-(3-methylphenoxy)acetamide Formula: C20H27N2O3+ MolecularWeight: 343.43998

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCC(=O)NCC(C2=CC=C(O2)C)[NH+]3CCCC3

Isomeric SMILES

CC1=CC(=CC=C1)OCC(=O)NC[C@@H](C2=CC=C(O2)C)[NH+]3CCCC3

InChI

InChI=1S/C20H26N2O3/c1-15-6-5-7-17(12-15)24-14-20(23)21-13-18(22-10-3-4-11-22)19-9-8-16(2)25-19/h5-9,12,18H,3-4,10-11,13-14H2,1-2H3,(H,21,23)/p+1/t18-/m0/s1