3-[[3-(2-methoxyphenyl)-1-(phenylmethyl)pyrazol-4-yl]carbonylamino]propyl-methyl-(phenylmethyl)azanium

Systemtic Name: 3-[[3-(2-methoxyphenyl)-1-(phenylmethyl)pyrazol-4-yl]carbonylamino]propyl-methyl-(phenylmethyl)azanium Openeye Name: benzyl-[3-[[1-benzyl-3-(2-methoxyphenyl)pyrazole-4-carbonyl]amino]propyl]-methyl-ammonium CAS Name: 3-[[[3-(2-methoxyphenyl)-1-(phenylmethyl)-4-pyrazolyl]-oxomethyl]amino]propyl-methyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[3-[[1-benzyl-3-(2-methoxyphenyl)pyrazole-4-carbonyl]amino]propyl]-methylazanium Traditional Name: benzyl-[3-[[1-benzyl-3-(2-methoxyphenyl)pyrazole-4-carbonyl]amino]propyl]-methyl-ammonium Formula: C29H33N4O2+ MolecularWeight: 469.59792

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCCNC(=O)C1=CN(N=C1C2=CC=CC=C2OC)CC3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

C[NH+](CCCNC(=O)C1=CN(N=C1C2=CC=CC=C2OC)CC3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C29H32N4O2/c1-32(20-23-12-5-3-6-13-23)19-11-18-30-29(34)26-22-33(21-24-14-7-4-8-15-24)31-28(26)25-16-9-10-17-27(25)35-2/h3-10,12-17,22H,11,18-21H2,1-2H3,(H,30,34)/p+1