2-phenyl-N-[(3R)-1-(phenylmethyl)pyrrolidin-1-ium-3-yl]-1,2,3-triazole-4-carboxamide

Systemtic Name: 2-phenyl-N-[(3R)-1-(phenylmethyl)pyrrolidin-1-ium-3-yl]-1,2,3-triazole-4-carboxamide Openeye Name: N-[(3R)-1-benzylpyrrolidin-1-ium-3-yl]-2-phenyl-triazole-4-carboxamide CAS Name: 2-phenyl-N-[(3R)-1-(phenylmethyl)-3-pyrrolidin-1-iumyl]-4-triazolecarboxamide IUPAC Name: N-[(3R)-1-benzylpyrrolidin-1-ium-3-yl]-2-phenyltriazole-4-carboxamide Traditional Name: N-[(3R)-1-benzylpyrrolidin-1-ium-3-yl]-2-phenyl-triazole-4-carboxamide Formula: C20H22N5O+ MolecularWeight: 348.42158

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC1NC(=O)C2=NN(N=C2)C3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

C1C[NH+](C[C@@H]1NC(=O)C2=NN(N=C2)C3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C20H21N5O/c26-20(19-13-21-25(23-19)18-9-5-2-6-10-18)22-17-11-12-24(15-17)14-16-7-3-1-4-8-16/h1-10,13,17H,11-12,14-15H2,(H,22,26)/p+1/t17-/m1/s1