N-[4-(4-chloranyl-3,5-dimethyl-pyrazol-1-yl)phenyl]-5-(pyrrolidin-1-ium-1-ylmethyl)furan-2-carboxamide

Systemtic Name: N-[4-(4-chloranyl-3,5-dimethyl-pyrazol-1-yl)phenyl]-5-(pyrrolidin-1-ium-1-ylmethyl)furan-2-carboxamide Openeye Name: N-[4-(4-chloro-3,5-dimethyl-pyrazol-1-yl)phenyl]-5-(pyrrolidin-1-ium-1-ylmethyl)furan-2-carboxamide CAS Name: N-[4-(4-chloro-3,5-dimethyl-1-pyrazolyl)phenyl]-5-(1-pyrrolidin-1-iumylmethyl)-2-furancarboxamide IUPAC Name: N-[4-(4-chloro-3,5-dimethylpyrazol-1-yl)phenyl]-5-(pyrrolidin-1-ium-1-ylmethyl)furan-2-carboxamide Traditional Name: N-[4-(4-chloro-3,5-dimethyl-pyrazol-1-yl)phenyl]-5-(pyrrolidin-1-ium-1-ylmethyl)-2-furamide Formula: C21H24ClN4O2+ MolecularWeight: 399.89386

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=C(C=C2)NC(=O)C3=CC=C(O3)C[NH+]4CCCC4)C)Cl

Isomeric SMILES

CC1=C(C(=NN1C2=CC=C(C=C2)NC(=O)C3=CC=C(O3)C[NH+]4CCCC4)C)Cl

InChI

InChI=1S/C21H23ClN4O2/c1-14-20(22)15(2)26(24-14)17-7-5-16(6-8-17)23-21(27)19-10-9-18(28-19)13-25-11-3-4-12-25/h5-10H,3-4,11-13H2,1-2H3,(H,23,27)/p+1