2-[4-[(2R)-3-morpholin-4-ium-4-yl-2-oxidanyl-propyl]piperazin-4-ium-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 2-[4-[(2R)-3-morpholin-4-ium-4-yl-2-oxidanyl-propyl]piperazin-4-ium-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-[(2R)-2-hydroxy-3-morpholin-4-ium-4-yl-propyl]piperazin-4-ium-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-[(2R)-2-hydroxy-3-(4-morpholin-4-iumyl)propyl]-1-piperazin-4-iumyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-[(2R)-2-hydroxy-3-morpholin-4-ium-4-ylpropyl]piperazin-4-ium-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-[(2R)-2-hydroxy-3-morpholin-4-ium-4-yl-propyl]piperazin-4-ium-1-yl]sulfonylbenzonitrile Formula: C18H28N4O4S+2 MolecularWeight: 396.50432

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(C[NH+]2CCOCC2)O)S(=O)(=O)C3=CC=CC=C3C#N

Isomeric SMILES

C1CN(CC[NH+]1C[C@H](C[NH+]2CCOCC2)O)S(=O)(=O)C3=CC=CC=C3C#N

InChI

InChI=1S/C18H26N4O4S/c19-13-16-3-1-2-4-18(16)27(24,25)22-7-5-20(6-8-22)14-17(23)15-21-9-11-26-12-10-21/h1-4,17,23H,5-12,14-15H2/p+2/t17-/m1/s1