(2R)-1-(1,3-benzodioxol-4-ylmethyl)-N-(3-pyrazol-1-ylphenyl)pyrrolidin-1-ium-2-carboxamide

Systemtic Name: (2R)-1-(1,3-benzodioxol-4-ylmethyl)-N-(3-pyrazol-1-ylphenyl)pyrrolidin-1-ium-2-carboxamide Openeye Name: (2R)-1-(1,3-benzodioxol-4-ylmethyl)-N-(3-pyrazol-1-ylphenyl)pyrrolidin-1-ium-2-carboxamide CAS Name: (2R)-1-(1,3-benzodioxol-4-ylmethyl)-N-[3-(1-pyrazolyl)phenyl]-2-pyrrolidin-1-iumcarboxamide IUPAC Name: (2R)-1-(1,3-benzodioxol-4-ylmethyl)-N-(3-pyrazol-1-ylphenyl)pyrrolidin-1-ium-2-carboxamide Traditional Name: (2R)-1-(1,3-benzodioxol-4-ylmethyl)-N-(3-pyrazol-1-ylphenyl)pyrrolidin-1-ium-2-carboxamide Formula: C22H23N4O3+ MolecularWeight: 391.44302

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Descriptors Computed from Structure

Canonical SMILES:

C1CC([NH+](C1)CC2=C3C(=CC=C2)OCO3)C(=O)NC4=CC=CC(=C4)N5C=CC=N5

Isomeric SMILES

C1C[C@@H]([NH+](C1)CC2=C3C(=CC=C2)OCO3)C(=O)NC4=CC=CC(=C4)N5C=CC=N5

InChI

InChI=1S/C22H22N4O3/c27-22(24-17-6-2-7-18(13-17)26-12-4-10-23-26)19-8-3-11-25(19)14-16-5-1-9-20-21(16)29-15-28-20/h1-2,4-7,9-10,12-13,19H,3,8,11,14-15H2,(H,24,27)/p+1/t19-/m1/s1