N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-1H-indazole-3-carboxamide

Systemtic Name: N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-1H-indazole-3-carboxamide Openeye Name: N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-1H-indazole-3-carboxamide CAS Name: N-[(2R)-2-(4-methoxyphenyl)-2-(1-pyrrolidin-1-iumyl)ethyl]-1H-indazole-3-carboxamide IUPAC Name: N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-ylethyl]-1H-indazole-3-carboxamide Traditional Name: N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-1H-indazole-3-carboxamide Formula: C21H25N4O2+ MolecularWeight: 365.4488

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(CNC(=O)C2=NNC3=CC=CC=C32)[NH+]4CCCC4

Isomeric SMILES

COC1=CC=C(C=C1)[C@H](CNC(=O)C2=NNC3=CC=CC=C32)[NH+]4CCCC4

InChI

InChI=1S/C21H24N4O2/c1-27-16-10-8-15(9-11-16)19(25-12-4-5-13-25)14-22-21(26)20-17-6-2-3-7-18(17)23-24-20/h2-3,6-11,19H,4-5,12-14H2,1H3,(H,22,26)(H,23,24)/p+1/t19-/m0/s1