N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-yl-ethyl]-3-(4-methylphenoxy)propanamide

Systemtic Name: N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-yl-ethyl]-3-(4-methylphenoxy)propanamide Openeye Name: N-[(2S)-2-(2-furyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-3-(4-methylphenoxy)propanamide CAS Name: N-[(2S)-2-(2-furanyl)-2-(1-pyrrolidin-1-iumyl)ethyl]-3-(4-methylphenoxy)propanamide IUPAC Name: N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-ylethyl]-3-(4-methylphenoxy)propanamide Traditional Name: N-[(2S)-2-(2-furyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-3-(4-methylphenoxy)propionamide Formula: C20H27N2O3+ MolecularWeight: 343.43998

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OCCC(=O)NCC(C2=CC=CO2)[NH+]3CCCC3

Isomeric SMILES

CC1=CC=C(C=C1)OCCC(=O)NC[C@@H](C2=CC=CO2)[NH+]3CCCC3

InChI

InChI=1S/C20H26N2O3/c1-16-6-8-17(9-7-16)24-14-10-20(23)21-15-18(19-5-4-13-25-19)22-11-2-3-12-22/h4-9,13,18H,2-3,10-12,14-15H2,1H3,(H,21,23)/p+1/t18-/m0/s1