N-[(1,3-dimethylpyrazol-4-yl)methyl]-5-[(2R)-1-(pyridin-2-ylmethyl)pyrrolidin-1-ium-2-yl]thiophene-2-carboxamide

Systemtic Name: N-[(1,3-dimethylpyrazol-4-yl)methyl]-5-[(2R)-1-(pyridin-2-ylmethyl)pyrrolidin-1-ium-2-yl]thiophene-2-carboxamide Openeye Name: N-[(1,3-dimethylpyrazol-4-yl)methyl]-5-[(2R)-1-(2-pyridylmethyl)pyrrolidin-1-ium-2-yl]thiophene-2-carboxamide CAS Name: N-[(1,3-dimethyl-4-pyrazolyl)methyl]-5-[(2R)-1-(2-pyridinylmethyl)-2-pyrrolidin-1-iumyl]-2-thiophenecarboxamide IUPAC Name: N-[(1,3-dimethylpyrazol-4-yl)methyl]-5-[(2R)-1-(pyridin-2-ylmethyl)pyrrolidin-1-ium-2-yl]thiophene-2-carboxamide Traditional Name: N-[(1,3-dimethylpyrazol-4-yl)methyl]-5-[(2R)-1-(2-pyridylmethyl)pyrrolidin-1-ium-2-yl]thiophene-2-carboxamide Formula: C21H26N5OS+ MolecularWeight: 396.52904

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C=C1CNC(=O)C2=CC=C(S2)C3CCC[NH+]3CC4=CC=CC=N4)C

Isomeric SMILES

CC1=NN(C=C1CNC(=O)C2=CC=C(S2)[C@H]3CCC[NH+]3CC4=CC=CC=N4)C

InChI

InChI=1S/C21H25N5OS/c1-15-16(13-25(2)24-15)12-23-21(27)20-9-8-19(28-20)18-7-5-11-26(18)14-17-6-3-4-10-22-17/h3-4,6,8-10,13,18H,5,7,11-12,14H2,1-2H3,(H,23,27)/p+1/t18-/m1/s1