1-[(2S)-1-ethylpyrrolidin-1-ium-2-yl]-N-[(1-phenylpyrazol-4-yl)methyl]methanamine

Systemtic Name: 1-[(2S)-1-ethylpyrrolidin-1-ium-2-yl]-N-[(1-phenylpyrazol-4-yl)methyl]methanamine Openeye Name: 1-[(2S)-1-ethylpyrrolidin-1-ium-2-yl]-N-[(1-phenylpyrazol-4-yl)methyl]methanamine CAS Name: 1-[(2S)-1-ethyl-2-pyrrolidin-1-iumyl]-N-[(1-phenyl-4-pyrazolyl)methyl]methanamine IUPAC Name: 1-[(2S)-1-ethylpyrrolidin-1-ium-2-yl]-N-[(1-phenylpyrazol-4-yl)methyl]methanamine Traditional Name: [(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl-[(1-phenylpyrazol-4-yl)methyl]amine Formula: C17H25N4+ MolecularWeight: 285.4072

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCCC1CNCC2=CN(N=C2)C3=CC=CC=C3

Isomeric SMILES

CC[NH+]1CCC[C@H]1CNCC2=CN(N=C2)C3=CC=CC=C3

InChI

InChI=1S/C17H24N4/c1-2-20-10-6-9-17(20)13-18-11-15-12-19-21(14-15)16-7-4-3-5-8-16/h3-5,7-8,12,14,17-18H,2,6,9-11,13H2,1H3/p+1/t17-/m0/s1