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

Systemtic Name: [(5R)-1-ethyl-3-thiomorpholin-4-ylcarbonyl-4,5,6,7-tetrahydroindazol-5-yl]-methyl-phenethyl-azanium Openeye Name: [(5R)-1-ethyl-3-(thiomorpholine-4-carbonyl)-4,5,6,7-tetrahydroindazol-5-yl]-methyl-phenethyl-ammonium CAS Name: [(5R)-1-ethyl-3-[oxo(thiomorpholin-4-yl)methyl]-4,5,6,7-tetrahydroindazol-5-yl]-methyl-phenethylammonium IUPAC Name: [(5R)-1-ethyl-3-(thiomorpholine-4-carbonyl)-4,5,6,7-tetrahydroindazol-5-yl]-methyl-phenethylazanium Traditional Name: [(5R)-1-ethyl-3-(thiomorpholine-4-carbonyl)-4,5,6,7-tetrahydroindazol-5-yl]-methyl-phenethyl-ammonium Formula: C23H33N4OS+ MolecularWeight: 413.59932

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(CC(CC2)[NH+](C)CCC3=CC=CC=C3)C(=N1)C(=O)N4CCSCC4

Isomeric SMILES

CCN1C2=C(C[C@@H](CC2)[NH+](C)CCC3=CC=CC=C3)C(=N1)C(=O)N4CCSCC4

InChI

InChI=1S/C23H32N4OS/c1-3-27-21-10-9-19(25(2)12-11-18-7-5-4-6-8-18)17-20(21)22(24-27)23(28)26-13-15-29-16-14-26/h4-8,19H,3,9-17H2,1-2H3/p+1/t19-/m1/s1