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

Systemtic Name: 2-(2,3-dimethylphenoxy)-N-[(2S)-2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ium-1-yl-ethyl]ethanamide Openeye Name: 2-(2,3-dimethylphenoxy)-N-[(2S)-2-(5-methyl-2-furyl)-2-pyrrolidin-1-ium-1-yl-ethyl]acetamide CAS Name: 2-(2,3-dimethylphenoxy)-N-[(2S)-2-(5-methyl-2-furanyl)-2-(1-pyrrolidin-1-iumyl)ethyl]acetamide IUPAC Name: 2-(2,3-dimethylphenoxy)-N-[(2S)-2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ium-1-ylethyl]acetamide Traditional Name: 2-(2,3-dimethylphenoxy)-N-[(2S)-2-(5-methyl-2-furyl)-2-pyrrolidin-1-ium-1-yl-ethyl]acetamide Formula: C21H29N2O3+ MolecularWeight: 357.46656

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28N2O3/c1-15-7-6-8-19(17(15)3)25-14-21(24)22-13-18(23-11-4-5-12-23)20-10-9-16(2)26-20/h6-10,18H,4-5,11-14H2,1-3H3,(H,22,24)/p+1/t18-/m0/s1