1-adamantylmethyl-methyl-[(5S)-1-methyl-3-(2-morpholin-4-ium-4-ylethylcarbamoyl)-4,5,6,7-tetrahydroindazol-5-yl]azanium

Systemtic Name: 1-adamantylmethyl-methyl-[(5S)-1-methyl-3-(2-morpholin-4-ium-4-ylethylcarbamoyl)-4,5,6,7-tetrahydroindazol-5-yl]azanium Openeye Name: 1-adamantylmethyl-methyl-[(5S)-1-methyl-3-(2-morpholin-4-ium-4-ylethylcarbamoyl)-4,5,6,7-tetrahydroindazol-5-yl]ammonium CAS Name: 1-adamantylmethyl-methyl-[(5S)-1-methyl-3-[[2-(4-morpholin-4-iumyl)ethylamino]-oxomethyl]-4,5,6,7-tetrahydroindazol-5-yl]ammonium IUPAC Name: 1-adamantylmethyl-methyl-[(5S)-1-methyl-3-(2-morpholin-4-ium-4-ylethylcarbamoyl)-4,5,6,7-tetrahydroindazol-5-yl]azanium Traditional Name: 1-adamantylmethyl-methyl-[(5S)-1-methyl-3-(2-morpholin-4-ium-4-ylethylcarbamoyl)-4,5,6,7-tetrahydroindazol-5-yl]ammonium Formula: C27H45N5O2+2 MolecularWeight: 471.6785

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(CC(CC2)[NH+](C)CC34CC5CC(C3)CC(C5)C4)C(=N1)C(=O)NCC[NH+]6CCOCC6

Isomeric SMILES

CN1C2=C(C[C@H](CC2)[NH+](C)CC34CC5CC(C3)CC(C5)C4)C(=N1)C(=O)NCC[NH+]6CCOCC6

InChI

InChI=1S/C27H43N5O2/c1-30(18-27-15-19-11-20(16-27)13-21(12-19)17-27)22-3-4-24-23(14-22)25(29-31(24)2)26(33)28-5-6-32-7-9-34-10-8-32/h19-22H,3-18H2,1-2H3,(H,28,33)/p+2/t19?,20?,21?,22-,27?/m0/s1