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

Systemtic Name: methyl-(phenylmethyl)-[3-[[1-(phenylmethyl)pyrazol-4-yl]carbonylamino]propyl]azanium Openeye Name: benzyl-[3-[(1-benzylpyrazole-4-carbonyl)amino]propyl]-methyl-ammonium CAS Name: methyl-[3-[[oxo-[1-(phenylmethyl)-4-pyrazolyl]methyl]amino]propyl]-(phenylmethyl)ammonium IUPAC Name: benzyl-[3-[(1-benzylpyrazole-4-carbonyl)amino]propyl]-methylazanium Traditional Name: benzyl-[3-[(1-benzylpyrazole-4-carbonyl)amino]propyl]-methyl-ammonium Formula: C22H27N4O+ MolecularWeight: 363.47598

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCCNC(=O)C1=CN(N=C1)CC2=CC=CC=C2)CC3=CC=CC=C3

Isomeric SMILES

C[NH+](CCCNC(=O)C1=CN(N=C1)CC2=CC=CC=C2)CC3=CC=CC=C3

InChI

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