2-(1-adamantyl)ethyl-[(5R)-1-ethyl-3-morpholin-4-ylcarbonyl-4,5,6,7-tetrahydroindazol-5-yl]-methyl-azanium

Systemtic Name: 2-(1-adamantyl)ethyl-[(5R)-1-ethyl-3-morpholin-4-ylcarbonyl-4,5,6,7-tetrahydroindazol-5-yl]-methyl-azanium Openeye Name: 2-(1-adamantyl)ethyl-[(5R)-1-ethyl-3-(morpholine-4-carbonyl)-4,5,6,7-tetrahydroindazol-5-yl]-methyl-ammonium CAS Name: 2-(1-adamantyl)ethyl-[(5R)-1-ethyl-3-[4-morpholinyl(oxo)methyl]-4,5,6,7-tetrahydroindazol-5-yl]-methylammonium IUPAC Name: 2-(1-adamantyl)ethyl-[(5R)-1-ethyl-3-(morpholine-4-carbonyl)-4,5,6,7-tetrahydroindazol-5-yl]-methylazanium Traditional Name: 2-(1-adamantyl)ethyl-[(5R)-1-ethyl-3-(morpholine-4-carbonyl)-4,5,6,7-tetrahydroindazol-5-yl]-methyl-ammonium Formula: C27H43N4O2+ MolecularWeight: 455.65592

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(CC(CC2)[NH+](C)CCC34CC5CC(C3)CC(C5)C4)C(=N1)C(=O)N6CCOCC6

Isomeric SMILES

CCN1C2=C(C[C@@H](CC2)[NH+](C)CCC34CC5CC(C3)CC(C5)C4)C(=N1)C(=O)N6CCOCC6

InChI

InChI=1S/C27H42N4O2/c1-3-31-24-5-4-22(15-23(24)25(28-31)26(32)30-8-10-33-11-9-30)29(2)7-6-27-16-19-12-20(17-27)14-21(13-19)18-27/h19-22H,3-18H2,1-2H3/p+1/t19?,20?,21?,22-,27?/m1/s1