1-(5-methylpyridin-1-ium-2-yl)-3-phenethyl-thiourea

Systemtic Name: 1-(5-methylpyridin-1-ium-2-yl)-3-phenethyl-thiourea Openeye Name: 1-(5-methylpyridin-1-ium-2-yl)-3-phenethyl-thiourea CAS Name: 1-(5-methyl-2-pyridin-1-iumyl)-3-phenethylthiourea IUPAC Name: 1-(5-methylpyridin-1-ium-2-yl)-3-phenethylthiourea Traditional Name: 1-(5-methylpyridin-1-ium-2-yl)-3-phenethyl-thiourea Formula: C15H18N3S+ MolecularWeight: 272.38852

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H17N3S/c1-12-7-8-14(17-11-12)18-15(19)16-10-9-13-5-3-2-4-6-13/h2-8,11H,9-10H2,1H3,(H2,16,17,18,19)/p+1