1-cyclohexyl-3-(3,4-dimethylphenyl)-1-(1-pyridin-1-ium-3-ylethyl)urea

Systemtic Name: 1-cyclohexyl-3-(3,4-dimethylphenyl)-1-(1-pyridin-1-ium-3-ylethyl)urea Openeye Name: 1-cyclohexyl-3-(3,4-dimethylphenyl)-1-(1-pyridin-1-ium-3-ylethyl)urea CAS Name: 1-cyclohexyl-3-(3,4-dimethylphenyl)-1-[1-(3-pyridin-1-iumyl)ethyl]urea IUPAC Name: 1-cyclohexyl-3-(3,4-dimethylphenyl)-1-(1-pyridin-1-ium-3-ylethyl)urea Traditional Name: 1-cyclohexyl-3-(3,4-dimethylphenyl)-1-(1-pyridin-1-ium-3-ylethyl)urea Formula: C22H30N3O+ MolecularWeight: 352.4931

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)N(C2CCCCC2)C(C)C3=C[NH+]=CC=C3)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)N(C2CCCCC2)C(C)C3=C[NH+]=CC=C3)C

InChI

InChI=1S/C22H29N3O/c1-16-11-12-20(14-17(16)2)24-22(26)25(21-9-5-4-6-10-21)18(3)19-8-7-13-23-15-19/h7-8,11-15,18,21H,4-6,9-10H2,1-3H3,(H,24,26)/p+1