3-morpholin-4-ium-4-ylpropyl-[(5R)-1-propyl-3-thiomorpholin-4-ylcarbonyl-4,5,6,7-tetrahydroindazol-5-yl]azanium

Systemtic Name: 3-morpholin-4-ium-4-ylpropyl-[(5R)-1-propyl-3-thiomorpholin-4-ylcarbonyl-4,5,6,7-tetrahydroindazol-5-yl]azanium Openeye Name: 3-morpholin-4-ium-4-ylpropyl-[(5R)-1-propyl-3-(thiomorpholine-4-carbonyl)-4,5,6,7-tetrahydroindazol-5-yl]ammonium CAS Name: 3-(4-morpholin-4-iumyl)propyl-[(5R)-3-[oxo(thiomorpholin-4-yl)methyl]-1-propyl-4,5,6,7-tetrahydroindazol-5-yl]ammonium IUPAC Name: 3-morpholin-4-ium-4-ylpropyl-[(5R)-1-propyl-3-(thiomorpholine-4-carbonyl)-4,5,6,7-tetrahydroindazol-5-yl]azanium Traditional Name: 3-morpholin-4-ium-4-ylpropyl-[(5R)-1-propyl-3-(thiomorpholine-4-carbonyl)-4,5,6,7-tetrahydroindazol-5-yl]ammonium Formula: C22H39N5O2S+2 MolecularWeight: 437.64236

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(CC(CC2)[NH2+]CCC[NH+]3CCOCC3)C(=N1)C(=O)N4CCSCC4

Isomeric SMILES

CCCN1C2=C(C[C@@H](CC2)[NH2+]CCC[NH+]3CCOCC3)C(=N1)C(=O)N4CCSCC4

InChI

InChI=1S/C22H37N5O2S/c1-2-7-27-20-5-4-18(23-6-3-8-25-9-13-29-14-10-25)17-19(20)21(24-27)22(28)26-11-15-30-16-12-26/h18,23H,2-17H2,1H3/p+2/t18-/m1/s1