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

Systemtic Name: 1-[(2S)-1-ethylpyrrolidin-1-ium-2-yl]-N-[(1-phenyl-3-thiophen-2-yl-pyrazol-4-yl)methyl]methanamine Openeye Name: 1-[(2S)-1-ethylpyrrolidin-1-ium-2-yl]-N-[[1-phenyl-3-(2-thienyl)pyrazol-4-yl]methyl]methanamine CAS Name: 1-[(2S)-1-ethyl-2-pyrrolidin-1-iumyl]-N-[(1-phenyl-3-thiophen-2-yl-4-pyrazolyl)methyl]methanamine IUPAC Name: 1-[(2S)-1-ethylpyrrolidin-1-ium-2-yl]-N-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methyl]methanamine Traditional Name: [(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl-[[1-phenyl-3-(2-thienyl)pyrazol-4-yl]methyl]amine Formula: C21H27N4S+ MolecularWeight: 367.53088

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCCC1CNCC2=CN(N=C2C3=CC=CS3)C4=CC=CC=C4

Isomeric SMILES

CC[NH+]1CCC[C@H]1CNCC2=CN(N=C2C3=CC=CS3)C4=CC=CC=C4

InChI

InChI=1S/C21H26N4S/c1-2-24-12-6-10-19(24)15-22-14-17-16-25(18-8-4-3-5-9-18)23-21(17)20-11-7-13-26-20/h3-5,7-9,11,13,16,19,22H,2,6,10,12,14-15H2,1H3/p+1/t19-/m0/s1