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

Systemtic Name: 3-methylsulfanylpropyl-[(5R)-1-propyl-3-thiomorpholin-4-ylcarbonyl-4,5,6,7-tetrahydroindazol-5-yl]azanium Openeye Name: 3-methylsulfanylpropyl-[(5R)-1-propyl-3-(thiomorpholine-4-carbonyl)-4,5,6,7-tetrahydroindazol-5-yl]ammonium CAS Name: 3-(methylthio)propyl-[(5R)-3-[oxo(thiomorpholin-4-yl)methyl]-1-propyl-4,5,6,7-tetrahydroindazol-5-yl]ammonium IUPAC Name: 3-methylsulfanylpropyl-[(5R)-1-propyl-3-(thiomorpholine-4-carbonyl)-4,5,6,7-tetrahydroindazol-5-yl]azanium Traditional Name: 3-(methylthio)propyl-[(5R)-1-propyl-3-(thiomorpholine-4-carbonyl)-4,5,6,7-tetrahydroindazol-5-yl]ammonium Formula: C19H33N4OS2+ MolecularWeight: 397.62152

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(CC(CC2)[NH2+]CCCSC)C(=N1)C(=O)N3CCSCC3

Isomeric SMILES

CCCN1C2=C(C[C@@H](CC2)[NH2+]CCCSC)C(=N1)C(=O)N3CCSCC3

InChI

InChI=1S/C19H32N4OS2/c1-3-8-23-17-6-5-15(20-7-4-11-25-2)14-16(17)18(21-23)19(24)22-9-12-26-13-10-22/h15,20H,3-14H2,1-2H3/p+1/t15-/m1/s1