diethyl-[[2-[[(4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)carbonylamino]methyl]phenyl]methyl]azanium

Systemtic Name: diethyl-[[2-[[(4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)carbonylamino]methyl]phenyl]methyl]azanium Openeye Name: diethyl-[[2-[[[4-methyl-2-(2-pyridyl)thiazole-5-carbonyl]amino]methyl]phenyl]methyl]ammonium CAS Name: diethyl-[[2-[[[[4-methyl-2-(2-pyridinyl)-5-thiazolyl]-oxomethyl]amino]methyl]phenyl]methyl]ammonium IUPAC Name: diethyl-[[2-[[(4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carbonyl)amino]methyl]phenyl]methyl]azanium Traditional Name: diethyl-[2-[[[4-methyl-2-(2-pyridyl)thiazole-5-carbonyl]amino]methyl]benzyl]ammonium Formula: C22H27N4OS+ MolecularWeight: 395.54098

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CC1=CC=CC=C1CNC(=O)C2=C(N=C(S2)C3=CC=CC=N3)C

Isomeric SMILES

CC[NH+](CC)CC1=CC=CC=C1CNC(=O)C2=C(N=C(S2)C3=CC=CC=N3)C

InChI

InChI=1S/C22H26N4OS/c1-4-26(5-2)15-18-11-7-6-10-17(18)14-24-21(27)20-16(3)25-22(28-20)19-12-8-9-13-23-19/h6-13H,4-5,14-15H2,1-3H3,(H,24,27)/p+1