1-[(2S)-1-ethylpyrrolidin-1-ium-2-yl]-N-[(1-phenyl-3-pyridin-3-yl-pyrazol-4-yl)methyl]methanamine

Systemtic Name: 1-[(2S)-1-ethylpyrrolidin-1-ium-2-yl]-N-[(1-phenyl-3-pyridin-3-yl-pyrazol-4-yl)methyl]methanamine Openeye Name: 1-[(2S)-1-ethylpyrrolidin-1-ium-2-yl]-N-[[1-phenyl-3-(3-pyridyl)pyrazol-4-yl]methyl]methanamine CAS Name: 1-[(2S)-1-ethyl-2-pyrrolidin-1-iumyl]-N-[[1-phenyl-3-(3-pyridinyl)-4-pyrazolyl]methyl]methanamine IUPAC Name: 1-[(2S)-1-ethylpyrrolidin-1-ium-2-yl]-N-[(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methyl]methanamine Traditional Name: [(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl-[[1-phenyl-3-(3-pyridyl)pyrazol-4-yl]methyl]amine Formula: C22H28N5+ MolecularWeight: 362.49122

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCCC1CNCC2=CN(N=C2C3=CN=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC[NH+]1CCC[C@H]1CNCC2=CN(N=C2C3=CN=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C22H27N5/c1-2-26-13-7-11-21(26)16-24-15-19-17-27(20-9-4-3-5-10-20)25-22(19)18-8-6-12-23-14-18/h3-6,8-10,12,14,17,21,24H,2,7,11,13,15-16H2,1H3/p+1/t21-/m0/s1