methyl-(phenylmethyl)-[3-[[4-(pyrazol-1-ylmethyl)phenyl]carbonylamino]propyl]azanium

Systemtic Name: methyl-(phenylmethyl)-[3-[[4-(pyrazol-1-ylmethyl)phenyl]carbonylamino]propyl]azanium Openeye Name: benzyl-methyl-[3-[[4-(pyrazol-1-ylmethyl)benzoyl]amino]propyl]ammonium CAS Name: methyl-[3-[[oxo-[4-(1-pyrazolylmethyl)phenyl]methyl]amino]propyl]-(phenylmethyl)ammonium IUPAC Name: benzyl-methyl-[3-[[4-(pyrazol-1-ylmethyl)benzoyl]amino]propyl]azanium Traditional Name: benzyl-methyl-[3-[[4-(pyrazol-1-ylmethyl)benzoyl]amino]propyl]ammonium Formula: C22H27N4O+ MolecularWeight: 363.47598

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCCNC(=O)C1=CC=C(C=C1)CN2C=CC=N2)CC3=CC=CC=C3

Isomeric SMILES

C[NH+](CCCNC(=O)C1=CC=C(C=C1)CN2C=CC=N2)CC3=CC=CC=C3

InChI

InChI=1S/C22H26N4O/c1-25(17-19-7-3-2-4-8-19)15-5-13-23-22(27)21-11-9-20(10-12-21)18-26-16-6-14-24-26/h2-4,6-12,14,16H,5,13,15,17-18H2,1H3,(H,23,27)/p+1