1-cyclohexyl-3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)urea

Systemtic Name: 1-cyclohexyl-3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)urea Openeye Name: 1-cyclohexyl-3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)urea CAS Name: 1-cyclohexyl-3-[4-(2-pyridin-1-iumyl)-1-piperazinyl]urea IUPAC Name: 1-cyclohexyl-3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)urea Traditional Name: 1-cyclohexyl-3-(4-pyridin-1-ium-2-ylpiperazino)urea Formula: C16H26N5O+ MolecularWeight: 304.41054

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)NN2CCN(CC2)C3=CC=CC=[NH+]3

Isomeric SMILES

C1CCC(CC1)NC(=O)NN2CCN(CC2)C3=CC=CC=[NH+]3

InChI

InChI=1S/C16H25N5O/c22-16(18-14-6-2-1-3-7-14)19-21-12-10-20(11-13-21)15-8-4-5-9-17-15/h4-5,8-9,14H,1-3,6-7,10-13H2,(H2,18,19,22)/p+1