1-(4-methylphenyl)-3-[[2-[methyl(2-pyridin-2-ylethyl)amino]pyridin-1-ium-3-yl]methyl]urea

Systemtic Name: 1-(4-methylphenyl)-3-[[2-[methyl(2-pyridin-2-ylethyl)amino]pyridin-1-ium-3-yl]methyl]urea Openeye Name: 1-[[2-[methyl-[2-(2-pyridyl)ethyl]amino]pyridin-1-ium-3-yl]methyl]-3-(p-tolyl)urea CAS Name: 1-(4-methylphenyl)-3-[[2-[methyl-[2-(2-pyridinyl)ethyl]amino]-3-pyridin-1-iumyl]methyl]urea IUPAC Name: 1-(4-methylphenyl)-3-[[2-[methyl(2-pyridin-2-ylethyl)amino]pyridin-1-ium-3-yl]methyl]urea Traditional Name: 1-[[2-[methyl-[2-(2-pyridyl)ethyl]amino]pyridin-1-ium-3-yl]methyl]-3-(p-tolyl)urea Formula: C22H26N5O+ MolecularWeight: 376.47474

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)NCC2=C([NH+]=CC=C2)N(C)CCC3=CC=CC=N3

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)NCC2=C([NH+]=CC=C2)N(C)CCC3=CC=CC=N3

InChI

InChI=1S/C22H25N5O/c1-17-8-10-20(11-9-17)26-22(28)25-16-18-6-5-14-24-21(18)27(2)15-12-19-7-3-4-13-23-19/h3-11,13-14H,12,15-16H2,1-2H3,(H2,25,26,28)/p+1