cycloheptyl-[(5R)-1-methyl-3-thiomorpholin-4-ylcarbonyl-4,5,6,7-tetrahydroindazol-5-yl]azanium

Systemtic Name: cycloheptyl-[(5R)-1-methyl-3-thiomorpholin-4-ylcarbonyl-4,5,6,7-tetrahydroindazol-5-yl]azanium Openeye Name: cycloheptyl-[(5R)-1-methyl-3-(thiomorpholine-4-carbonyl)-4,5,6,7-tetrahydroindazol-5-yl]ammonium CAS Name: cycloheptyl-[(5R)-1-methyl-3-[oxo(thiomorpholin-4-yl)methyl]-4,5,6,7-tetrahydroindazol-5-yl]ammonium IUPAC Name: cycloheptyl-[(5R)-1-methyl-3-(thiomorpholine-4-carbonyl)-4,5,6,7-tetrahydroindazol-5-yl]azanium Traditional Name: cycloheptyl-[(5R)-1-methyl-3-(thiomorpholine-4-carbonyl)-4,5,6,7-tetrahydroindazol-5-yl]ammonium Formula: C20H33N4OS+ MolecularWeight: 377.56722

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(CC(CC2)[NH2+]C3CCCCCC3)C(=N1)C(=O)N4CCSCC4

Isomeric SMILES

CN1C2=C(C[C@@H](CC2)[NH2+]C3CCCCCC3)C(=N1)C(=O)N4CCSCC4

InChI

InChI=1S/C20H32N4OS/c1-23-18-9-8-16(21-15-6-4-2-3-5-7-15)14-17(18)19(22-23)20(25)24-10-12-26-13-11-24/h15-16,21H,2-14H2,1H3/p+1/t16-/m1/s1