2,3-dihydro-1H-inden-2-yl-[(5R)-1-ethyl-3-thiomorpholin-4-ylcarbonyl-4,5,6,7-tetrahydroindazol-5-yl]azanium

Systemtic Name: 2,3-dihydro-1H-inden-2-yl-[(5R)-1-ethyl-3-thiomorpholin-4-ylcarbonyl-4,5,6,7-tetrahydroindazol-5-yl]azanium Openeye Name: [(5R)-1-ethyl-3-(thiomorpholine-4-carbonyl)-4,5,6,7-tetrahydroindazol-5-yl]-indan-2-yl-ammonium CAS Name: 2,3-dihydro-1H-inden-2-yl-[(5R)-1-ethyl-3-[oxo(thiomorpholin-4-yl)methyl]-4,5,6,7-tetrahydroindazol-5-yl]ammonium IUPAC Name: 2,3-dihydro-1H-inden-2-yl-[(5R)-1-ethyl-3-(thiomorpholine-4-carbonyl)-4,5,6,7-tetrahydroindazol-5-yl]azanium Traditional Name: [(5R)-1-ethyl-3-(thiomorpholine-4-carbonyl)-4,5,6,7-tetrahydroindazol-5-yl]-indan-2-yl-ammonium Formula: C23H31N4OS+ MolecularWeight: 411.58344

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(CC(CC2)[NH2+]C3CC4=CC=CC=C4C3)C(=N1)C(=O)N5CCSCC5

Isomeric SMILES

CCN1C2=C(C[C@@H](CC2)[NH2+]C3CC4=CC=CC=C4C3)C(=N1)C(=O)N5CCSCC5

InChI

InChI=1S/C23H30N4OS/c1-2-27-21-8-7-18(24-19-13-16-5-3-4-6-17(16)14-19)15-20(21)22(25-27)23(28)26-9-11-29-12-10-26/h3-6,18-19,24H,2,7-15H2,1H3/p+1/t18-/m1/s1