3-(2,4-dimethoxyphenyl)-1-(3-methylbutyl)-1-(1-pyridin-1-ium-2-ylethyl)urea

Systemtic Name: 3-(2,4-dimethoxyphenyl)-1-(3-methylbutyl)-1-(1-pyridin-1-ium-2-ylethyl)urea Openeye Name: 3-(2,4-dimethoxyphenyl)-1-isopentyl-1-(1-pyridin-1-ium-2-ylethyl)urea CAS Name: 3-(2,4-dimethoxyphenyl)-1-(3-methylbutyl)-1-[1-(2-pyridin-1-iumyl)ethyl]urea IUPAC Name: 3-(2,4-dimethoxyphenyl)-1-(3-methylbutyl)-1-(1-pyridin-1-ium-2-ylethyl)urea Traditional Name: 3-(2,4-dimethoxyphenyl)-1-isoamyl-1-(1-pyridin-1-ium-2-ylethyl)urea Formula: C21H30N3O3+ MolecularWeight: 372.4812

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN(C(C)C1=CC=CC=[NH+]1)C(=O)NC2=C(C=C(C=C2)OC)OC

Isomeric SMILES

CC(C)CCN(C(C)C1=CC=CC=[NH+]1)C(=O)NC2=C(C=C(C=C2)OC)OC

InChI

InChI=1S/C21H29N3O3/c1-15(2)11-13-24(16(3)18-8-6-7-12-22-18)21(25)23-19-10-9-17(26-4)14-20(19)27-5/h6-10,12,14-16H,11,13H2,1-5H3,(H,23,25)/p+1