1-(4,6-dimethylpyridin-1-ium-2-yl)-3-phenethyl-thiourea

Systemtic Name: 1-(4,6-dimethylpyridin-1-ium-2-yl)-3-phenethyl-thiourea Openeye Name: 1-(4,6-dimethylpyridin-1-ium-2-yl)-3-phenethyl-thiourea CAS Name: 1-(4,6-dimethyl-2-pyridin-1-iumyl)-3-phenethylthiourea IUPAC Name: 1-(4,6-dimethylpyridin-1-ium-2-yl)-3-phenethylthiourea Traditional Name: 1-(4,6-dimethylpyridin-1-ium-2-yl)-3-phenethyl-thiourea Formula: C16H20N3S+ MolecularWeight: 286.4151

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=[NH+]C(=C1)NC(=S)NCCC2=CC=CC=C2)C

Isomeric SMILES

CC1=CC(=[NH+]C(=C1)NC(=S)NCCC2=CC=CC=C2)C

InChI

InChI=1S/C16H19N3S/c1-12-10-13(2)18-15(11-12)19-16(20)17-9-8-14-6-4-3-5-7-14/h3-7,10-11H,8-9H2,1-2H3,(H2,17,18,19,20)/p+1