1-(4-phenylbutan-2-yl)-3-pyridin-1-ium-3-yl-thiourea

Systemtic Name: 1-(4-phenylbutan-2-yl)-3-pyridin-1-ium-3-yl-thiourea Openeye Name: 1-(1-methyl-3-phenyl-propyl)-3-pyridin-1-ium-3-yl-thiourea CAS Name: 1-(4-phenylbutan-2-yl)-3-(3-pyridin-1-iumyl)thiourea IUPAC Name: 1-(4-phenylbutan-2-yl)-3-pyridin-1-ium-3-ylthiourea Traditional Name: 1-(1-methyl-3-phenyl-propyl)-3-pyridin-1-ium-3-yl-thiourea Formula: C16H20N3S+ MolecularWeight: 286.4151

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC=CC=C1)NC(=S)NC2=C[NH+]=CC=C2

Isomeric SMILES

CC(CCC1=CC=CC=C1)NC(=S)NC2=C[NH+]=CC=C2

InChI

InChI=1S/C16H19N3S/c1-13(9-10-14-6-3-2-4-7-14)18-16(20)19-15-8-5-11-17-12-15/h2-8,11-13H,9-10H2,1H3,(H2,18,19,20)/p+1