5-[(2S)-1-[(E)-hex-3-enoyl]pyrrolidin-2-yl]-N-[(3-methyl-1H-imidazol-3-ium-2-yl)methyl]thiophene-2-carboxamide

Systemtic Name: 5-[(2S)-1-[(E)-hex-3-enoyl]pyrrolidin-2-yl]-N-[(3-methyl-1H-imidazol-3-ium-2-yl)methyl]thiophene-2-carboxamide Openeye Name: 5-[(2S)-1-[(E)-hex-3-enoyl]pyrrolidin-2-yl]-N-[(3-methyl-1H-imidazol-3-ium-2-yl)methyl]thiophene-2-carboxamide CAS Name: N-[(3-methyl-1H-imidazol-3-ium-2-yl)methyl]-5-[(2S)-1-[(E)-1-oxohex-3-enyl]-2-pyrrolidinyl]-2-thiophenecarboxamide IUPAC Name: 5-[(2S)-1-[(E)-hex-3-enoyl]pyrrolidin-2-yl]-N-[(3-methyl-1H-imidazol-3-ium-2-yl)methyl]thiophene-2-carboxamide Traditional Name: 5-[(2S)-1-[(E)-hex-3-enoyl]pyrrolidin-2-yl]-N-[(3-methyl-1H-imidazol-3-ium-2-yl)methyl]thiophene-2-carboxamide Formula: C20H27N4O2S+ MolecularWeight: 387.51898

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Descriptors Computed from Structure

Canonical SMILES:

CCC=CCC(=O)N1CCCC1C2=CC=C(S2)C(=O)NCC3=[N+](C=CN3)C

Isomeric SMILES

CC/C=C/CC(=O)N1CCC[C@H]1C2=CC=C(S2)C(=O)NCC3=[N+](C=CN3)C

InChI

InChI=1S/C20H26N4O2S/c1-3-4-5-8-19(25)24-12-6-7-15(24)16-9-10-17(27-16)20(26)22-14-18-21-11-13-23(18)2/h4-5,9-11,13,15H,3,6-8,12,14H2,1-2H3,(H,22,26)/p+1/b5-4+/t15-/m0/s1