[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]methyl-[(1S)-1-(5-methyl-1-phenyl-pyrazol-4-yl)ethyl]azanium

Systemtic Name: [4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]methyl-[(1S)-1-(5-methyl-1-phenyl-pyrazol-4-yl)ethyl]azanium Openeye Name: [4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]methyl-[(1S)-1-(5-methyl-1-phenyl-pyrazol-4-yl)ethyl]ammonium CAS Name: [4-methoxy-3-(1-pyrazolylmethyl)phenyl]methyl-[(1S)-1-(5-methyl-1-phenyl-4-pyrazolyl)ethyl]ammonium IUPAC Name: [4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]methyl-[(1S)-1-(5-methyl-1-phenylpyrazol-4-yl)ethyl]azanium Traditional Name: [4-methoxy-3-(pyrazol-1-ylmethyl)benzyl]-[(1S)-1-(5-methyl-1-phenyl-pyrazol-4-yl)ethyl]ammonium Formula: C24H28N5O+ MolecularWeight: 402.51202

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1C2=CC=CC=C2)C(C)[NH2+]CC3=CC(=C(C=C3)OC)CN4C=CC=N4

Isomeric SMILES

CC1=C(C=NN1C2=CC=CC=C2)[C@H](C)[NH2+]CC3=CC(=C(C=C3)OC)CN4C=CC=N4

InChI

InChI=1S/C24H27N5O/c1-18(23-16-27-29(19(23)2)22-8-5-4-6-9-22)25-15-20-10-11-24(30-3)21(14-20)17-28-13-7-12-26-28/h4-14,16,18,25H,15,17H2,1-3H3/p+1/t18-/m0/s1