N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-yl-ethyl]-4-methoxy-1-phenyl-pyrazole-3-carboxamide

Systemtic Name: N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-yl-ethyl]-4-methoxy-1-phenyl-pyrazole-3-carboxamide Openeye Name: N-[(2R)-2-(2-furyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-4-methoxy-1-phenyl-pyrazole-3-carboxamide CAS Name: N-[(2R)-2-(2-furanyl)-2-(1-pyrrolidin-1-iumyl)ethyl]-4-methoxy-1-phenyl-3-pyrazolecarboxamide IUPAC Name: N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-ylethyl]-4-methoxy-1-phenylpyrazole-3-carboxamide Traditional Name: N-[(2R)-2-(2-furyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-4-methoxy-1-phenyl-pyrazole-3-carboxamide Formula: C21H25N4O3+ MolecularWeight: 381.4482

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CN(N=C1C(=O)NCC(C2=CC=CO2)[NH+]3CCCC3)C4=CC=CC=C4

Isomeric SMILES

COC1=CN(N=C1C(=O)NC[C@H](C2=CC=CO2)[NH+]3CCCC3)C4=CC=CC=C4

InChI

InChI=1S/C21H24N4O3/c1-27-19-15-25(16-8-3-2-4-9-16)23-20(19)21(26)22-14-17(18-10-7-13-28-18)24-11-5-6-12-24/h2-4,7-10,13,15,17H,5-6,11-12,14H2,1H3,(H,22,26)/p+1/t17-/m1/s1