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

Systemtic Name: azepan-1-yl-[(5R)-1-ethyl-5-thiomorpholin-4-ium-4-yl-4,5,6,7-tetrahydroindazol-3-yl]methanone Openeye Name: azepan-1-yl-[(5R)-1-ethyl-5-thiomorpholin-4-ium-4-yl-4,5,6,7-tetrahydroindazol-3-yl]methanone CAS Name: 1-azepanyl-[(5R)-1-ethyl-5-(4-thiomorpholin-4-iumyl)-4,5,6,7-tetrahydroindazol-3-yl]methanone IUPAC Name: azepan-1-yl-[(5R)-1-ethyl-5-thiomorpholin-4-ium-4-yl-4,5,6,7-tetrahydroindazol-3-yl]methanone Traditional Name: azepan-1-yl-[(5R)-1-ethyl-5-thiomorpholin-4-ium-4-yl-4,5,6,7-tetrahydroindazol-3-yl]methanone Formula: C20H33N4OS+ MolecularWeight: 377.56722

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(CC(CC2)[NH+]3CCSCC3)C(=N1)C(=O)N4CCCCCC4

Isomeric SMILES

CCN1C2=C(C[C@@H](CC2)[NH+]3CCSCC3)C(=N1)C(=O)N4CCCCCC4

InChI

InChI=1S/C20H32N4OS/c1-2-24-18-8-7-16(22-11-13-26-14-12-22)15-17(18)19(21-24)20(25)23-9-5-3-4-6-10-23/h16H,2-15H2,1H3/p+1/t16-/m1/s1