1-(phenylmethyl)-N-[(3S)-1-(phenylmethyl)pyrrolidin-1-ium-3-yl]pyrazole-4-carboxamide

Systemtic Name: 1-(phenylmethyl)-N-[(3S)-1-(phenylmethyl)pyrrolidin-1-ium-3-yl]pyrazole-4-carboxamide Openeye Name: 1-benzyl-N-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]pyrazole-4-carboxamide CAS Name: 1-(phenylmethyl)-N-[(3S)-1-(phenylmethyl)-3-pyrrolidin-1-iumyl]-4-pyrazolecarboxamide IUPAC Name: 1-benzyl-N-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]pyrazole-4-carboxamide Traditional Name: 1-benzyl-N-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]pyrazole-4-carboxamide Formula: C22H25N4O+ MolecularWeight: 361.4601

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC1NC(=O)C2=CN(N=C2)CC3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

C1C[NH+](C[C@H]1NC(=O)C2=CN(N=C2)CC3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C22H24N4O/c27-22(20-13-23-26(16-20)15-19-9-5-2-6-10-19)24-21-11-12-25(17-21)14-18-7-3-1-4-8-18/h1-10,13,16,21H,11-12,14-15,17H2,(H,24,27)/p+1/t21-/m0/s1