2,2-diphenylethyl-[(5R)-1-methyl-3-thiomorpholin-4-ylcarbonyl-4,5,6,7-tetrahydroindazol-5-yl]azanium

Systemtic Name: 2,2-diphenylethyl-[(5R)-1-methyl-3-thiomorpholin-4-ylcarbonyl-4,5,6,7-tetrahydroindazol-5-yl]azanium Openeye Name: 2,2-diphenylethyl-[(5R)-1-methyl-3-(thiomorpholine-4-carbonyl)-4,5,6,7-tetrahydroindazol-5-yl]ammonium CAS Name: 2,2-diphenylethyl-[(5R)-1-methyl-3-[oxo(thiomorpholin-4-yl)methyl]-4,5,6,7-tetrahydroindazol-5-yl]ammonium IUPAC Name: 2,2-diphenylethyl-[(5R)-1-methyl-3-(thiomorpholine-4-carbonyl)-4,5,6,7-tetrahydroindazol-5-yl]azanium Traditional Name: 2,2-diphenylethyl-[(5R)-1-methyl-3-(thiomorpholine-4-carbonyl)-4,5,6,7-tetrahydroindazol-5-yl]ammonium Formula: C27H33N4OS+ MolecularWeight: 461.64212

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H32N4OS/c1-30-25-13-12-22(18-23(25)26(29-30)27(32)31-14-16-33-17-15-31)28-19-24(20-8-4-2-5-9-20)21-10-6-3-7-11-21/h2-11,22,24,28H,12-19H2,1H3/p+1/t22-/m1/s1