azepan-1-yl-[(5R)-1-methyl-5-thiomorpholin-4-ium-4-yl-4,5,6,7-tetrahydroindazol-3-yl]methanone

Systemtic Name: azepan-1-yl-[(5R)-1-methyl-5-thiomorpholin-4-ium-4-yl-4,5,6,7-tetrahydroindazol-3-yl]methanone Openeye Name: azepan-1-yl-[(5R)-1-methyl-5-thiomorpholin-4-ium-4-yl-4,5,6,7-tetrahydroindazol-3-yl]methanone CAS Name: 1-azepanyl-[(5R)-1-methyl-5-(4-thiomorpholin-4-iumyl)-4,5,6,7-tetrahydroindazol-3-yl]methanone IUPAC Name: azepan-1-yl-[(5R)-1-methyl-5-thiomorpholin-4-ium-4-yl-4,5,6,7-tetrahydroindazol-3-yl]methanone Traditional Name: azepan-1-yl-[(5R)-1-methyl-5-thiomorpholin-4-ium-4-yl-4,5,6,7-tetrahydroindazol-3-yl]methanone Formula: C19H31N4OS+ MolecularWeight: 363.54064

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(CC(CC2)[NH+]3CCSCC3)C(=N1)C(=O)N4CCCCCC4

Isomeric SMILES

CN1C2=C(C[C@@H](CC2)[NH+]3CCSCC3)C(=N1)C(=O)N4CCCCCC4

InChI

InChI=1S/C19H30N4OS/c1-21-17-7-6-15(22-10-12-25-13-11-22)14-16(17)18(20-21)19(24)23-8-4-2-3-5-9-23/h15H,2-14H2,1H3/p+1/t15-/m1/s1