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

Systemtic Name: (1-oxidanylcyclohexyl)methyl-[(5R)-1-propyl-3-thiomorpholin-4-ylcarbonyl-4,5,6,7-tetrahydroindazol-5-yl]azanium Openeye Name: (1-hydroxycyclohexyl)methyl-[(5R)-1-propyl-3-(thiomorpholine-4-carbonyl)-4,5,6,7-tetrahydroindazol-5-yl]ammonium CAS Name: (1-hydroxycyclohexyl)methyl-[(5R)-3-[oxo(thiomorpholin-4-yl)methyl]-1-propyl-4,5,6,7-tetrahydroindazol-5-yl]ammonium IUPAC Name: (1-hydroxycyclohexyl)methyl-[(5R)-1-propyl-3-(thiomorpholine-4-carbonyl)-4,5,6,7-tetrahydroindazol-5-yl]azanium Traditional Name: (1-hydroxycyclohexyl)methyl-[(5R)-1-propyl-3-(thiomorpholine-4-carbonyl)-4,5,6,7-tetrahydroindazol-5-yl]ammonium Formula: C22H37N4O2S+ MolecularWeight: 421.61978

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(CC(CC2)[NH2+]CC3(CCCCC3)O)C(=N1)C(=O)N4CCSCC4

Isomeric SMILES

CCCN1C2=C(C[C@@H](CC2)[NH2+]CC3(CCCCC3)O)C(=N1)C(=O)N4CCSCC4

InChI

InChI=1S/C22H36N4O2S/c1-2-10-26-19-7-6-17(23-16-22(28)8-4-3-5-9-22)15-18(19)20(24-26)21(27)25-11-13-29-14-12-25/h17,23,28H,2-16H2,1H3/p+1/t17-/m1/s1