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

Systemtic Name: (4-methylpiperazin-4-ium-1-yl)-[(5R)-1-propyl-5-thiomorpholin-4-ium-4-yl-4,5,6,7-tetrahydroindazol-3-yl]methanone Openeye Name: (4-methylpiperazin-4-ium-1-yl)-[(5R)-1-propyl-5-thiomorpholin-4-ium-4-yl-4,5,6,7-tetrahydroindazol-3-yl]methanone CAS Name: (4-methyl-1-piperazin-4-iumyl)-[(5R)-1-propyl-5-(4-thiomorpholin-4-iumyl)-4,5,6,7-tetrahydroindazol-3-yl]methanone IUPAC Name: (4-methylpiperazin-4-ium-1-yl)-[(5R)-1-propyl-5-thiomorpholin-4-ium-4-yl-4,5,6,7-tetrahydroindazol-3-yl]methanone Traditional Name: (4-methylpiperazin-4-ium-1-yl)-[(5R)-1-propyl-5-thiomorpholin-4-ium-4-yl-4,5,6,7-tetrahydroindazol-3-yl]methanone Formula: C20H35N5OS+2 MolecularWeight: 393.5898

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(CC(CC2)[NH+]3CCSCC3)C(=N1)C(=O)N4CC[NH+](CC4)C

Isomeric SMILES

CCCN1C2=C(C[C@@H](CC2)[NH+]3CCSCC3)C(=N1)C(=O)N4CC[NH+](CC4)C

InChI

InChI=1S/C20H33N5OS/c1-3-6-25-18-5-4-16(23-11-13-27-14-12-23)15-17(18)19(21-25)20(26)24-9-7-22(2)8-10-24/h16H,3-15H2,1-2H3/p+2/t16-/m1/s1