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

Systemtic Name: (diphenylmethyl)-[(5R)-1-methyl-3-thiomorpholin-4-ylcarbonyl-4,5,6,7-tetrahydroindazol-5-yl]azanium Openeye Name: benzhydryl-[(5R)-1-methyl-3-(thiomorpholine-4-carbonyl)-4,5,6,7-tetrahydroindazol-5-yl]ammonium CAS Name: (diphenylmethyl)-[(5R)-1-methyl-3-[oxo(thiomorpholin-4-yl)methyl]-4,5,6,7-tetrahydroindazol-5-yl]ammonium IUPAC Name: benzhydryl-[(5R)-1-methyl-3-(thiomorpholine-4-carbonyl)-4,5,6,7-tetrahydroindazol-5-yl]azanium Traditional Name: benzhydryl-[(5R)-1-methyl-3-(thiomorpholine-4-carbonyl)-4,5,6,7-tetrahydroindazol-5-yl]ammonium Formula: C26H31N4OS+ MolecularWeight: 447.61554

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(CC(CC2)[NH2+]C(C3=CC=CC=C3)C4=CC=CC=C4)C(=N1)C(=O)N5CCSCC5

Isomeric SMILES

CN1C2=C(C[C@@H](CC2)[NH2+]C(C3=CC=CC=C3)C4=CC=CC=C4)C(=N1)C(=O)N5CCSCC5

InChI

InChI=1S/C26H30N4OS/c1-29-23-13-12-21(18-22(23)25(28-29)26(31)30-14-16-32-17-15-30)27-24(19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-11,21,24,27H,12-18H2,1H3/p+1/t21-/m1/s1