5-[(2S)-1-[(2,5-dimethyl-1-pyridin-3-yl-pyrrol-3-yl)methyl]pyrrolidin-1-ium-2-yl]thiophene-2-carboxamide

Systemtic Name: 5-[(2S)-1-[(2,5-dimethyl-1-pyridin-3-yl-pyrrol-3-yl)methyl]pyrrolidin-1-ium-2-yl]thiophene-2-carboxamide Openeye Name: 5-[(2S)-1-[[2,5-dimethyl-1-(3-pyridyl)pyrrol-3-yl]methyl]pyrrolidin-1-ium-2-yl]thiophene-2-carboxamide CAS Name: 5-[(2S)-1-[[2,5-dimethyl-1-(3-pyridinyl)-3-pyrrolyl]methyl]-2-pyrrolidin-1-iumyl]-2-thiophenecarboxamide IUPAC Name: 5-[(2S)-1-[(2,5-dimethyl-1-pyridin-3-ylpyrrol-3-yl)methyl]pyrrolidin-1-ium-2-yl]thiophene-2-carboxamide Traditional Name: 5-[(2S)-1-[[2,5-dimethyl-1-(3-pyridyl)pyrrol-3-yl]methyl]pyrrolidin-1-ium-2-yl]thiophene-2-carboxamide Formula: C21H25N4OS+ MolecularWeight: 381.5144

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CN=CC=C2)C)C[NH+]3CCCC3C4=CC=C(S4)C(=O)N

Isomeric SMILES

CC1=CC(=C(N1C2=CN=CC=C2)C)C[NH+]3CCC[C@H]3C4=CC=C(S4)C(=O)N

InChI

InChI=1S/C21H24N4OS/c1-14-11-16(15(2)25(14)17-5-3-9-23-12-17)13-24-10-4-6-18(24)19-7-8-20(27-19)21(22)26/h3,5,7-9,11-12,18H,4,6,10,13H2,1-2H3,(H2,22,26)/p+1/t18-/m0/s1