1-(4-methylphenyl)sulfonyl-3-(pyridin-1-ium-3-ylmethyl)urea

Systemtic Name: 1-(4-methylphenyl)sulfonyl-3-(pyridin-1-ium-3-ylmethyl)urea Openeye Name: 1-(p-tolylsulfonyl)-3-(pyridin-1-ium-3-ylmethyl)urea CAS Name: 1-(4-methylphenyl)sulfonyl-3-(3-pyridin-1-iumylmethyl)urea IUPAC Name: 1-(4-methylphenyl)sulfonyl-3-(pyridin-1-ium-3-ylmethyl)urea Traditional Name: 1-(pyridin-1-ium-3-ylmethyl)-3-tosyl-urea Formula: C14H16N3O3S+ MolecularWeight: 306.36014

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NCC2=C[NH+]=CC=C2

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NCC2=C[NH+]=CC=C2

InChI

InChI=1S/C14H15N3O3S/c1-11-4-6-13(7-5-11)21(19,20)17-14(18)16-10-12-3-2-8-15-9-12/h2-9H,10H2,1H3,(H2,16,17,18)/p+1