1-[4-(3-chloranyl-5-methyl-pyridin-1-ium-2-yl)piperazin-1-yl]-3-pyridin-3-yl-thiourea

Systemtic Name: 1-[4-(3-chloranyl-5-methyl-pyridin-1-ium-2-yl)piperazin-1-yl]-3-pyridin-3-yl-thiourea Openeye Name: 1-[4-(3-chloro-5-methyl-pyridin-1-ium-2-yl)piperazin-1-yl]-3-(3-pyridyl)thiourea CAS Name: 1-[4-(3-chloro-5-methyl-2-pyridin-1-iumyl)-1-piperazinyl]-3-(3-pyridinyl)thiourea IUPAC Name: 1-[4-(3-chloro-5-methylpyridin-1-ium-2-yl)piperazin-1-yl]-3-pyridin-3-ylthiourea Traditional Name: 1-[4-(3-chloro-5-methyl-pyridin-1-ium-2-yl)piperazino]-3-(3-pyridyl)thiourea Formula: C16H20ClN6S+ MolecularWeight: 363.8882

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C([NH+]=C1)N2CCN(CC2)NC(=S)NC3=CN=CC=C3)Cl

Isomeric SMILES

CC1=CC(=C([NH+]=C1)N2CCN(CC2)NC(=S)NC3=CN=CC=C3)Cl

InChI

InChI=1S/C16H19ClN6S/c1-12-9-14(17)15(19-10-12)22-5-7-23(8-6-22)21-16(24)20-13-3-2-4-18-11-13/h2-4,9-11H,5-8H2,1H3,(H2,20,21,24)/p+1