1-(6-methylpyridin-1-ium-2-yl)-3-(phenylmethyl)thiourea

Systemtic Name: 1-(6-methylpyridin-1-ium-2-yl)-3-(phenylmethyl)thiourea Openeye Name: 1-benzyl-3-(6-methylpyridin-1-ium-2-yl)thiourea CAS Name: 1-(6-methyl-2-pyridin-1-iumyl)-3-(phenylmethyl)thiourea IUPAC Name: 1-benzyl-3-(6-methylpyridin-1-ium-2-yl)thiourea Traditional Name: 1-benzyl-3-(6-methylpyridin-1-ium-2-yl)thiourea Formula: C14H16N3S+ MolecularWeight: 258.36194

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H15N3S/c1-11-6-5-9-13(16-11)17-14(18)15-10-12-7-3-2-4-8-12/h2-9H,10H2,1H3,(H2,15,16,17,18)/p+1