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

Systemtic Name: 1-cyclohexyl-3-[[2-[methyl(2-pyridin-2-ylethyl)amino]pyridin-1-ium-3-yl]methyl]urea Openeye Name: 1-cyclohexyl-3-[[2-[methyl-[2-(2-pyridyl)ethyl]amino]pyridin-1-ium-3-yl]methyl]urea CAS Name: 1-cyclohexyl-3-[[2-[methyl-[2-(2-pyridinyl)ethyl]amino]-3-pyridin-1-iumyl]methyl]urea IUPAC Name: 1-cyclohexyl-3-[[2-[methyl(2-pyridin-2-ylethyl)amino]pyridin-1-ium-3-yl]methyl]urea Traditional Name: 1-cyclohexyl-3-[[2-[methyl-[2-(2-pyridyl)ethyl]amino]pyridin-1-ium-3-yl]methyl]urea Formula: C21H30N5O+ MolecularWeight: 368.4958

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC1=CC=CC=N1)C2=C(C=CC=[NH+]2)CNC(=O)NC3CCCCC3

Isomeric SMILES

CN(CCC1=CC=CC=N1)C2=C(C=CC=[NH+]2)CNC(=O)NC3CCCCC3

InChI

InChI=1S/C21H29N5O/c1-26(15-12-18-9-5-6-13-22-18)20-17(8-7-14-23-20)16-24-21(27)25-19-10-3-2-4-11-19/h5-9,13-14,19H,2-4,10-12,15-16H2,1H3,(H2,24,25,27)/p+1