N-ethyl-5-[(2R)-1-[(4-imidazol-1-ylphenyl)methyl]pyrrolidin-1-ium-2-yl]thiophene-2-carboxamide

Systemtic Name: N-ethyl-5-[(2R)-1-[(4-imidazol-1-ylphenyl)methyl]pyrrolidin-1-ium-2-yl]thiophene-2-carboxamide Openeye Name: N-ethyl-5-[(2R)-1-[(4-imidazol-1-ylphenyl)methyl]pyrrolidin-1-ium-2-yl]thiophene-2-carboxamide CAS Name: N-ethyl-5-[(2R)-1-[[4-(1-imidazolyl)phenyl]methyl]-2-pyrrolidin-1-iumyl]-2-thiophenecarboxamide IUPAC Name: N-ethyl-5-[(2R)-1-[(4-imidazol-1-ylphenyl)methyl]pyrrolidin-1-ium-2-yl]thiophene-2-carboxamide Traditional Name: N-ethyl-5-[(2R)-1-(4-imidazol-1-ylbenzyl)pyrrolidin-1-ium-2-yl]thiophene-2-carboxamide Formula: C21H25N4OS+ MolecularWeight: 381.5144

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C1=CC=C(S1)C2CCC[NH+]2CC3=CC=C(C=C3)N4C=CN=C4

Isomeric SMILES

CCNC(=O)C1=CC=C(S1)[C@H]2CCC[NH+]2CC3=CC=C(C=C3)N4C=CN=C4

InChI

InChI=1S/C21H24N4OS/c1-2-23-21(26)20-10-9-19(27-20)18-4-3-12-24(18)14-16-5-7-17(8-6-16)25-13-11-22-15-25/h5-11,13,15,18H,2-4,12,14H2,1H3,(H,23,26)/p+1/t18-/m1/s1