3-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-N-[(2R)-2-phenyl-2-pyrrolidin-1-ium-1-yl-ethyl]propanamide

Systemtic Name: 3-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-N-[(2R)-2-phenyl-2-pyrrolidin-1-ium-1-yl-ethyl]propanamide Openeye Name: 3-[[(E)-3-(2-furyl)prop-2-enoyl]amino]-N-[(2R)-2-phenyl-2-pyrrolidin-1-ium-1-yl-ethyl]propanamide CAS Name: 3-[[(E)-3-(2-furanyl)-1-oxoprop-2-enyl]amino]-N-[(2R)-2-phenyl-2-(1-pyrrolidin-1-iumyl)ethyl]propanamide IUPAC Name: 3-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-N-[(2R)-2-phenyl-2-pyrrolidin-1-ium-1-ylethyl]propanamide Traditional Name: 3-[[(E)-3-(2-furyl)acryloyl]amino]-N-[(2R)-2-phenyl-2-pyrrolidin-1-ium-1-yl-ethyl]propionamide Formula: C22H28N3O3+ MolecularWeight: 382.47602

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)C(CNC(=O)CCNC(=O)C=CC2=CC=CO2)C3=CC=CC=C3

Isomeric SMILES

C1CC[NH+](C1)[C@@H](CNC(=O)CCNC(=O)/C=C/C2=CC=CO2)C3=CC=CC=C3

InChI

InChI=1S/C22H27N3O3/c26-21(11-10-19-9-6-16-28-19)23-13-12-22(27)24-17-20(25-14-4-5-15-25)18-7-2-1-3-8-18/h1-3,6-11,16,20H,4-5,12-15,17H2,(H,23,26)(H,24,27)/p+1/b11-10+/t20-/m0/s1