5-[(2S)-1-[[3-(4-methoxyphenyl)-1H-imidazol-3-ium-2-yl]methyl]pyrrolidin-2-yl]thiophene-2-carboxamide

Systemtic Name: 5-[(2S)-1-[[3-(4-methoxyphenyl)-1H-imidazol-3-ium-2-yl]methyl]pyrrolidin-2-yl]thiophene-2-carboxamide Openeye Name: 5-[(2S)-1-[[3-(4-methoxyphenyl)-1H-imidazol-3-ium-2-yl]methyl]pyrrolidin-2-yl]thiophene-2-carboxamide CAS Name: 5-[(2S)-1-[[3-(4-methoxyphenyl)-1H-imidazol-3-ium-2-yl]methyl]-2-pyrrolidinyl]-2-thiophenecarboxamide IUPAC Name: 5-[(2S)-1-[[3-(4-methoxyphenyl)-1H-imidazol-3-ium-2-yl]methyl]pyrrolidin-2-yl]thiophene-2-carboxamide Traditional Name: 5-[(2S)-1-[[3-(4-methoxyphenyl)-1H-imidazol-3-ium-2-yl]methyl]pyrrolidin-2-yl]thiophene-2-carboxamide Formula: C20H23N4O2S+ MolecularWeight: 383.48722

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)[N+]2=C(NC=C2)CN3CCCC3C4=CC=C(S4)C(=O)N

Isomeric SMILES

COC1=CC=C(C=C1)[N+]2=C(NC=C2)CN3CCC[C@H]3C4=CC=C(S4)C(=O)N

InChI

InChI=1S/C20H22N4O2S/c1-26-15-6-4-14(5-7-15)24-12-10-22-19(24)13-23-11-2-3-16(23)17-8-9-18(27-17)20(21)25/h4-10,12,16H,2-3,11,13H2,1H3,(H2,21,25)/p+1/t16-/m0/s1