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

Systemtic Name: 2-adamantylmethyl-[(5R)-1-methyl-3-thiomorpholin-4-ylcarbonyl-4,5,6,7-tetrahydroindazol-5-yl]azanium Openeye Name: 2-adamantylmethyl-[(5R)-1-methyl-3-(thiomorpholine-4-carbonyl)-4,5,6,7-tetrahydroindazol-5-yl]ammonium CAS Name: 2-adamantylmethyl-[(5R)-1-methyl-3-[oxo(thiomorpholin-4-yl)methyl]-4,5,6,7-tetrahydroindazol-5-yl]ammonium IUPAC Name: 2-adamantylmethyl-[(5R)-1-methyl-3-(thiomorpholine-4-carbonyl)-4,5,6,7-tetrahydroindazol-5-yl]azanium Traditional Name: 2-adamantylmethyl-[(5R)-1-methyl-3-(thiomorpholine-4-carbonyl)-4,5,6,7-tetrahydroindazol-5-yl]ammonium Formula: C24H37N4OS+ MolecularWeight: 429.64178

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(CC(CC2)[NH2+]CC3C4CC5CC(C4)CC3C5)C(=N1)C(=O)N6CCSCC6

Isomeric SMILES

CN1C2=C(C[C@@H](CC2)[NH2+]CC3C4CC5CC(C4)CC3C5)C(=N1)C(=O)N6CCSCC6

InChI

InChI=1S/C24H36N4OS/c1-27-22-3-2-19(13-20(22)23(26-27)24(29)28-4-6-30-7-5-28)25-14-21-17-9-15-8-16(11-17)12-18(21)10-15/h15-19,21,25H,2-14H2,1H3/p+1/t15?,16?,17?,18?,19-,21?/m1/s1