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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(CC(CC2)[NH+](C)CC3=CC=CC=C3)C(=N1)C(=O)N4CCSCC4

Isomeric SMILES

CCN1C2=C(C[C@@H](CC2)[NH+](C)CC3=CC=CC=C3)C(=N1)C(=O)N4CCSCC4

InChI

InChI=1S/C22H30N4OS/c1-3-26-20-10-9-18(24(2)16-17-7-5-4-6-8-17)15-19(20)21(23-26)22(27)25-11-13-28-14-12-25/h4-8,18H,3,9-16H2,1-2H3/p+1/t18-/m1/s1