(1S,2R)-2-phenyl-N-[(2-phenylpyrazol-3-yl)methyl]-N-(2-pyrrolidin-1-ium-1-ylethyl)cyclopropane-1-carboxamide

Systemtic Name: (1S,2R)-2-phenyl-N-[(2-phenylpyrazol-3-yl)methyl]-N-(2-pyrrolidin-1-ium-1-ylethyl)cyclopropane-1-carboxamide Openeye Name: (1S,2R)-2-phenyl-N-[(2-phenylpyrazol-3-yl)methyl]-N-(2-pyrrolidin-1-ium-1-ylethyl)cyclopropanecarboxamide CAS Name: (1S,2R)-2-phenyl-N-[(2-phenyl-3-pyrazolyl)methyl]-N-[2-(1-pyrrolidin-1-iumyl)ethyl]-1-cyclopropanecarboxamide IUPAC Name: (1S,2R)-2-phenyl-N-[(2-phenylpyrazol-3-yl)methyl]-N-(2-pyrrolidin-1-ium-1-ylethyl)cyclopropane-1-carboxamide Traditional Name: (1S,2R)-2-phenyl-N-[(2-phenylpyrazol-3-yl)methyl]-N-(2-pyrrolidin-1-ium-1-ylethyl)cyclopropanecarboxamide Formula: C26H31N4O+ MolecularWeight: 415.55054

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CCN(CC2=CC=NN2C3=CC=CC=C3)C(=O)C4CC4C5=CC=CC=C5

Isomeric SMILES

C1CC[NH+](C1)CCN(CC2=CC=NN2C3=CC=CC=C3)C(=O)[C@H]4C[C@H]4C5=CC=CC=C5

InChI

InChI=1S/C26H30N4O/c31-26(25-19-24(25)21-9-3-1-4-10-21)29(18-17-28-15-7-8-16-28)20-23-13-14-27-30(23)22-11-5-2-6-12-22/h1-6,9-14,24-25H,7-8,15-20H2/p+1/t24-,25-/m0/s1