5-morpholin-4-ylsulfonyl-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]pyridin-1-ium-2-amine

Systemtic Name: 5-morpholin-4-ylsulfonyl-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]pyridin-1-ium-2-amine Openeye Name: 5-morpholinosulfonyl-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]pyridin-1-ium-2-amine CAS Name: 5-(4-morpholinylsulfonyl)-N-[[1-(1-piperidin-1-iumyl)cyclohexyl]methyl]-2-pyridin-1-iumamine IUPAC Name: 5-morpholin-4-ylsulfonyl-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]pyridin-1-ium-2-amine Traditional Name: (5-morpholinosulfonylpyridin-1-ium-2-yl)-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]amine Formula: C21H36N4O3S+2 MolecularWeight: 424.60054

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(CNC2=[NH+]C=C(C=C2)S(=O)(=O)N3CCOCC3)[NH+]4CCCCC4

Isomeric SMILES

C1CCC(CC1)(CNC2=[NH+]C=C(C=C2)S(=O)(=O)N3CCOCC3)[NH+]4CCCCC4

InChI

InChI=1S/C21H34N4O3S/c26-29(27,25-13-15-28-16-14-25)19-7-8-20(22-17-19)23-18-21(9-3-1-4-10-21)24-11-5-2-6-12-24/h7-8,17H,1-6,9-16,18H2,(H,22,23)/p+2