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carbamothioyl-cyclohexyl-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-pyridin-2-yl-azanium

carbamothioyl-cyclohexyl-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-pyridin-2-yl-azanium

Systemtic Name:carbamothioyl-cyclohexyl-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-pyridin-2-yl-azanium
Openeye Name:carbamothioyl-cyclohexyl-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-(2-pyridyl)ammonium
CAS Name:carbamothioyl-cyclohexyl-[2-[4-(2-methoxyphenyl)-1-piperazinyl]ethyl]-(2-pyridinyl)ammonium
IUPAC Name:carbamothioyl-cyclohexyl-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-pyridin-2-ylazanium
Traditional Name:cyclohexyl-[2-[4-(2-methoxyphenyl)piperazino]ethyl]-(2-pyridyl)-thiocarbamoyl-ammonium
Formula: C25H36N5OS+
MolecularWeight: 454.65124
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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CCN(CC2)CC[N+](C3CCCCC3)(C4=CC=CC=N4)C(=S)N


Isomeric SMILES

COC1=CC=CC=C1N2CCN(CC2)CC[N+](C3CCCCC3)(C4=CC=CC=N4)C(=S)N


InChI

InChI=1S/C25H35N5OS/c1-31-23-12-6-5-11-22(23)29-17-15-28(16-18-29)19-20-30(25(26)32,21-9-3-2-4-10-21)24-13-7-8-14-27-24/h5-8,11-14,21H,2-4,9-10,15-20H2,1H3,(H-,26,32)/p+1


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