[(2R)-1-ethylpyrrolidin-1-ium-2-yl]methyl-[(1-phenyl-3-thiophen-2-yl-pyrazol-4-yl)methyl]azanium

Systemtic Name: [(2R)-1-ethylpyrrolidin-1-ium-2-yl]methyl-[(1-phenyl-3-thiophen-2-yl-pyrazol-4-yl)methyl]azanium Openeye Name: [(2R)-1-ethylpyrrolidin-1-ium-2-yl]methyl-[[1-phenyl-3-(2-thienyl)pyrazol-4-yl]methyl]ammonium CAS Name: [(2R)-1-ethyl-2-pyrrolidin-1-iumyl]methyl-[(1-phenyl-3-thiophen-2-yl-4-pyrazolyl)methyl]ammonium IUPAC Name: [(2R)-1-ethylpyrrolidin-1-ium-2-yl]methyl-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methyl]azanium Traditional Name: [(2R)-1-ethylpyrrolidin-1-ium-2-yl]methyl-[[1-phenyl-3-(2-thienyl)pyrazol-4-yl]methyl]ammonium Formula: C21H28N4S+2 MolecularWeight: 368.53882

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCCC1C[NH2+]CC2=CN(N=C2C3=CC=CS3)C4=CC=CC=C4

Isomeric SMILES

CC[NH+]1CCC[C@@H]1C[NH2+]CC2=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+2/t19-/m1/s1