3-(3,4-dimethylphenyl)-1-(furan-2-ylmethyl)-1-(pyridin-1-ium-3-ylmethyl)urea

Systemtic Name: 3-(3,4-dimethylphenyl)-1-(furan-2-ylmethyl)-1-(pyridin-1-ium-3-ylmethyl)urea Openeye Name: 3-(3,4-dimethylphenyl)-1-(2-furylmethyl)-1-(pyridin-1-ium-3-ylmethyl)urea CAS Name: 3-(3,4-dimethylphenyl)-1-(2-furanylmethyl)-1-(3-pyridin-1-iumylmethyl)urea IUPAC Name: 3-(3,4-dimethylphenyl)-1-(furan-2-ylmethyl)-1-(pyridin-1-ium-3-ylmethyl)urea Traditional Name: 3-(3,4-dimethylphenyl)-1-(2-furfuryl)-1-(pyridin-1-ium-3-ylmethyl)urea Formula: C20H22N3O2+ MolecularWeight: 336.40758

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)N(CC2=C[NH+]=CC=C2)CC3=CC=CO3)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)N(CC2=C[NH+]=CC=C2)CC3=CC=CO3)C

InChI

InChI=1S/C20H21N3O2/c1-15-7-8-18(11-16(15)2)22-20(24)23(14-19-6-4-10-25-19)13-17-5-3-9-21-12-17/h3-12H,13-14H2,1-2H3,(H,22,24)/p+1