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

Systemtic Name: cyclohexyl-[(5R)-1-methyl-3-(phenethylcarbamoyl)-4,5,6,7-tetrahydroindazol-5-yl]azanium Openeye Name: cyclohexyl-[(5R)-1-methyl-3-(phenethylcarbamoyl)-4,5,6,7-tetrahydroindazol-5-yl]ammonium CAS Name: cyclohexyl-[(5R)-1-methyl-3-[oxo-(phenethylamino)methyl]-4,5,6,7-tetrahydroindazol-5-yl]ammonium IUPAC Name: cyclohexyl-[(5R)-1-methyl-3-(phenethylcarbamoyl)-4,5,6,7-tetrahydroindazol-5-yl]azanium Traditional Name: cyclohexyl-[(5R)-1-methyl-3-(phenethylcarbamoyl)-4,5,6,7-tetrahydroindazol-5-yl]ammonium Formula: C23H33N4O+ MolecularWeight: 381.53432

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(CC(CC2)[NH2+]C3CCCCC3)C(=N1)C(=O)NCCC4=CC=CC=C4

Isomeric SMILES

CN1C2=C(C[C@@H](CC2)[NH2+]C3CCCCC3)C(=N1)C(=O)NCCC4=CC=CC=C4

InChI

InChI=1S/C23H32N4O/c1-27-21-13-12-19(25-18-10-6-3-7-11-18)16-20(21)22(26-27)23(28)24-15-14-17-8-4-2-5-9-17/h2,4-5,8-9,18-19,25H,3,6-7,10-16H2,1H3,(H,24,28)/p+1/t19-/m1/s1