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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(CC(CC2)[NH+]3CCCCCC3)C(=N1)C(=O)N4CCSCC4

Isomeric SMILES

CCN1C2=C(C[C@@H](CC2)[NH+]3CCCCCC3)C(=N1)C(=O)N4CCSCC4

InChI

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