1-(3-methylphenyl)-3-(pyridin-1-ium-2-ylmethyl)urea

Systemtic Name: 1-(3-methylphenyl)-3-(pyridin-1-ium-2-ylmethyl)urea Openeye Name: 1-(m-tolyl)-3-(pyridin-1-ium-2-ylmethyl)urea CAS Name: 1-(3-methylphenyl)-3-(2-pyridin-1-iumylmethyl)urea IUPAC Name: 1-(3-methylphenyl)-3-(pyridin-1-ium-2-ylmethyl)urea Traditional Name: 1-(m-tolyl)-3-(pyridin-1-ium-2-ylmethyl)urea Formula: C14H16N3O+ MolecularWeight: 242.29634

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)NCC2=CC=CC=[NH+]2

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)NCC2=CC=CC=[NH+]2

InChI

InChI=1S/C14H15N3O/c1-11-5-4-7-12(9-11)17-14(18)16-10-13-6-2-3-8-15-13/h2-9H,10H2,1H3,(H2,16,17,18)/p+1