cyclohexyl-methyl-[[4-[(2S)-1-(2-pyrazol-1-ylethanoylamino)propan-2-yl]oxyphenyl]methyl]azanium

Systemtic Name: cyclohexyl-methyl-[[4-[(2S)-1-(2-pyrazol-1-ylethanoylamino)propan-2-yl]oxyphenyl]methyl]azanium Openeye Name: cyclohexyl-methyl-[[4-[(1S)-1-methyl-2-[(2-pyrazol-1-ylacetyl)amino]ethoxy]phenyl]methyl]ammonium CAS Name: cyclohexyl-methyl-[[4-[(2S)-1-[[1-oxo-2-(1-pyrazolyl)ethyl]amino]propan-2-yl]oxyphenyl]methyl]ammonium IUPAC Name: cyclohexyl-methyl-[[4-[(2S)-1-[(2-pyrazol-1-ylacetyl)amino]propan-2-yl]oxyphenyl]methyl]azanium Traditional Name: cyclohexyl-methyl-[4-[(1S)-1-methyl-2-[(2-pyrazol-1-ylacetyl)amino]ethoxy]benzyl]ammonium Formula: C22H33N4O2+ MolecularWeight: 385.52302

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Descriptors Computed from Structure

Canonical SMILES:

CC(CNC(=O)CN1C=CC=N1)OC2=CC=C(C=C2)C[NH+](C)C3CCCCC3

Isomeric SMILES

C[C@@H](CNC(=O)CN1C=CC=N1)OC2=CC=C(C=C2)C[NH+](C)C3CCCCC3

InChI

InChI=1S/C22H32N4O2/c1-18(15-23-22(27)17-26-14-6-13-24-26)28-21-11-9-19(10-12-21)16-25(2)20-7-4-3-5-8-20/h6,9-14,18,20H,3-5,7-8,15-17H2,1-2H3,(H,23,27)/p+1/t18-/m0/s1