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

Systemtic Name: 1-adamantylmethyl-methyl-[(5S)-1-methyl-3-thiomorpholin-4-ylcarbonyl-4,5,6,7-tetrahydroindazol-5-yl]azanium Openeye Name: 1-adamantylmethyl-methyl-[(5S)-1-methyl-3-(thiomorpholine-4-carbonyl)-4,5,6,7-tetrahydroindazol-5-yl]ammonium CAS Name: 1-adamantylmethyl-methyl-[(5S)-1-methyl-3-[oxo(thiomorpholin-4-yl)methyl]-4,5,6,7-tetrahydroindazol-5-yl]ammonium IUPAC Name: 1-adamantylmethyl-methyl-[(5S)-1-methyl-3-(thiomorpholine-4-carbonyl)-4,5,6,7-tetrahydroindazol-5-yl]azanium Traditional Name: 1-adamantylmethyl-methyl-[(5S)-1-methyl-3-(thiomorpholine-4-carbonyl)-4,5,6,7-tetrahydroindazol-5-yl]ammonium Formula: C25H39N4OS+ MolecularWeight: 443.66836

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(CC(CC2)[NH+](C)CC34CC5CC(C3)CC(C5)C4)C(=N1)C(=O)N6CCSCC6

Isomeric SMILES

CN1C2=C(C[C@H](CC2)[NH+](C)CC34CC5CC(C3)CC(C5)C4)C(=N1)C(=O)N6CCSCC6

InChI

InChI=1S/C25H38N4OS/c1-27(16-25-13-17-9-18(14-25)11-19(10-17)15-25)20-3-4-22-21(12-20)23(26-28(22)2)24(30)29-5-7-31-8-6-29/h17-20H,3-16H2,1-2H3/p+1/t17?,18?,19?,20-,25?/m0/s1