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

Systemtic Name: [(5R)-1-ethyl-3-thiomorpholin-4-ylcarbonyl-4,5,6,7-tetrahydroindazol-5-yl]-phenethyl-azanium Openeye Name: [(5R)-1-ethyl-3-(thiomorpholine-4-carbonyl)-4,5,6,7-tetrahydroindazol-5-yl]-phenethyl-ammonium CAS Name: [(5R)-1-ethyl-3-[oxo(thiomorpholin-4-yl)methyl]-4,5,6,7-tetrahydroindazol-5-yl]-phenethylammonium IUPAC Name: [(5R)-1-ethyl-3-(thiomorpholine-4-carbonyl)-4,5,6,7-tetrahydroindazol-5-yl]-phenethylazanium Traditional Name: [(5R)-1-ethyl-3-(thiomorpholine-4-carbonyl)-4,5,6,7-tetrahydroindazol-5-yl]-phenethyl-ammonium Formula: C22H31N4OS+ MolecularWeight: 399.57274

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(CC(CC2)[NH2+]CCC3=CC=CC=C3)C(=N1)C(=O)N4CCSCC4

Isomeric SMILES

CCN1C2=C(C[C@@H](CC2)[NH2+]CCC3=CC=CC=C3)C(=N1)C(=O)N4CCSCC4

InChI

InChI=1S/C22H30N4OS/c1-2-26-20-9-8-18(23-11-10-17-6-4-3-5-7-17)16-19(20)21(24-26)22(27)25-12-14-28-15-13-25/h3-7,18,23H,2,8-16H2,1H3/p+1/t18-/m1/s1