[5-[(2R)-1-[(E)-3-phenylprop-2-enyl]pyrrolidin-1-ium-2-yl]thiophen-2-yl]-pyrrolidin-1-yl-methanone

Systemtic Name: [5-[(2R)-1-[(E)-3-phenylprop-2-enyl]pyrrolidin-1-ium-2-yl]thiophen-2-yl]-pyrrolidin-1-yl-methanone Openeye Name: [5-[(2R)-1-[(E)-cinnamyl]pyrrolidin-1-ium-2-yl]-2-thienyl]-pyrrolidin-1-yl-methanone CAS Name: [5-[(2R)-1-[(E)-3-phenylprop-2-enyl]-2-pyrrolidin-1-iumyl]-2-thiophenyl]-(1-pyrrolidinyl)methanone IUPAC Name: [5-[(2R)-1-[(E)-3-phenylprop-2-enyl]pyrrolidin-1-ium-2-yl]thiophen-2-yl]-pyrrolidin-1-ylmethanone Traditional Name: [5-[(2R)-1-[(E)-cinnamyl]pyrrolidin-1-ium-2-yl]-2-thienyl]-pyrrolidino-methanone Formula: C22H27N2OS+ MolecularWeight: 367.52758

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C2=CC=C(S2)C3CCC[NH+]3CC=CC4=CC=CC=C4

Isomeric SMILES

C1CCN(C1)C(=O)C2=CC=C(S2)[C@H]3CCC[NH+]3C/C=C/C4=CC=CC=C4

InChI

InChI=1S/C22H26N2OS/c25-22(24-14-4-5-15-24)21-13-12-20(26-21)19-11-7-17-23(19)16-6-10-18-8-2-1-3-9-18/h1-3,6,8-10,12-13,19H,4-5,7,11,14-17H2/p+1/b10-6+/t19-/m1/s1