cycloheptyl-[(5R)-1-methyl-3-(phenethylcarbamoyl)-4,5,6,7-tetrahydroindazol-5-yl]azanium

Systemtic Name: cycloheptyl-[(5R)-1-methyl-3-(phenethylcarbamoyl)-4,5,6,7-tetrahydroindazol-5-yl]azanium Openeye Name: cycloheptyl-[(5R)-1-methyl-3-(phenethylcarbamoyl)-4,5,6,7-tetrahydroindazol-5-yl]ammonium CAS Name: cycloheptyl-[(5R)-1-methyl-3-[oxo-(phenethylamino)methyl]-4,5,6,7-tetrahydroindazol-5-yl]ammonium IUPAC Name: cycloheptyl-[(5R)-1-methyl-3-(phenethylcarbamoyl)-4,5,6,7-tetrahydroindazol-5-yl]azanium Traditional Name: cycloheptyl-[(5R)-1-methyl-3-(phenethylcarbamoyl)-4,5,6,7-tetrahydroindazol-5-yl]ammonium Formula: C24H35N4O+ MolecularWeight: 395.5609

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(CC(CC2)[NH2+]C3CCCCCC3)C(=N1)C(=O)NCCC4=CC=CC=C4

Isomeric SMILES

CN1C2=C(C[C@@H](CC2)[NH2+]C3CCCCCC3)C(=N1)C(=O)NCCC4=CC=CC=C4

InChI

InChI=1S/C24H34N4O/c1-28-22-14-13-20(26-19-11-7-2-3-8-12-19)17-21(22)23(27-28)24(29)25-16-15-18-9-5-4-6-10-18/h4-6,9-10,19-20,26H,2-3,7-8,11-17H2,1H3,(H,25,29)/p+1/t20-/m1/s1