1-cyclohexyl-3-(4-ethoxyphenyl)-1-(1-pyridin-1-ium-4-ylethyl)urea

Systemtic Name: 1-cyclohexyl-3-(4-ethoxyphenyl)-1-(1-pyridin-1-ium-4-ylethyl)urea Openeye Name: 1-cyclohexyl-3-(4-ethoxyphenyl)-1-(1-pyridin-1-ium-4-ylethyl)urea CAS Name: 1-cyclohexyl-3-(4-ethoxyphenyl)-1-[1-(4-pyridin-1-iumyl)ethyl]urea IUPAC Name: 1-cyclohexyl-3-(4-ethoxyphenyl)-1-(1-pyridin-1-ium-4-ylethyl)urea Traditional Name: 1-cyclohexyl-3-p-phenetyl-1-(1-pyridin-1-ium-4-ylethyl)urea Formula: C22H30N3O2+ MolecularWeight: 368.4925

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=O)N(C2CCCCC2)C(C)C3=CC=[NH+]C=C3

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=O)N(C2CCCCC2)C(C)C3=CC=[NH+]C=C3

InChI

InChI=1S/C22H29N3O2/c1-3-27-21-11-9-19(10-12-21)24-22(26)25(20-7-5-4-6-8-20)17(2)18-13-15-23-16-14-18/h9-17,20H,3-8H2,1-2H3,(H,24,26)/p+1