diethyl-[[2-[[(5-thiophen-2-yl-1H-pyrazol-4-yl)methylazaniumyl]methyl]phenyl]methyl]azanium

Systemtic Name: diethyl-[[2-[[(5-thiophen-2-yl-1H-pyrazol-4-yl)methylazaniumyl]methyl]phenyl]methyl]azanium Openeye Name: diethyl-[[2-[[[5-(2-thienyl)-1H-pyrazol-4-yl]methylammonio]methyl]phenyl]methyl]ammonium CAS Name: diethyl-[[2-[[(5-thiophen-2-yl-1H-pyrazol-4-yl)methylammonio]methyl]phenyl]methyl]ammonium IUPAC Name: diethyl-[[2-[[(5-thiophen-2-yl-1H-pyrazol-4-yl)methylazaniumyl]methyl]phenyl]methyl]azanium Traditional Name: diethyl-[2-[[[5-(2-thienyl)-1H-pyrazol-4-yl]methylammonio]methyl]benzyl]ammonium Formula: C20H28N4S+2 MolecularWeight: 356.52812

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CC1=CC=CC=C1C[NH2+]CC2=C(NN=C2)C3=CC=CS3

Isomeric SMILES

CC[NH+](CC)CC1=CC=CC=C1C[NH2+]CC2=C(NN=C2)C3=CC=CS3

InChI

InChI=1S/C20H26N4S/c1-3-24(4-2)15-17-9-6-5-8-16(17)12-21-13-18-14-22-23-20(18)19-10-7-11-25-19/h5-11,14,21H,3-4,12-13,15H2,1-2H3,(H,22,23)/p+2