[1-methyl-3-(4-phenoxyphenyl)pyrazol-4-yl]methyl-(3-pyridin-3-ylpropyl)azanium

Systemtic Name: [1-methyl-3-(4-phenoxyphenyl)pyrazol-4-yl]methyl-(3-pyridin-3-ylpropyl)azanium Openeye Name: [1-methyl-3-(4-phenoxyphenyl)pyrazol-4-yl]methyl-[3-(3-pyridyl)propyl]ammonium CAS Name: [1-methyl-3-(4-phenoxyphenyl)-4-pyrazolyl]methyl-[3-(3-pyridinyl)propyl]ammonium IUPAC Name: [1-methyl-3-(4-phenoxyphenyl)pyrazol-4-yl]methyl-(3-pyridin-3-ylpropyl)azanium Traditional Name: [1-methyl-3-(4-phenoxyphenyl)pyrazol-4-yl]methyl-[3-(3-pyridyl)propyl]ammonium Formula: C25H27N4O+ MolecularWeight: 399.50808

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=N1)C2=CC=C(C=C2)OC3=CC=CC=C3)C[NH2+]CCCC4=CN=CC=C4

Isomeric SMILES

CN1C=C(C(=N1)C2=CC=C(C=C2)OC3=CC=CC=C3)C[NH2+]CCCC4=CN=CC=C4

InChI

InChI=1S/C25H26N4O/c1-29-19-22(18-27-16-6-8-20-7-5-15-26-17-20)25(28-29)21-11-13-24(14-12-21)30-23-9-3-2-4-10-23/h2-5,7,9-15,17,19,27H,6,8,16,18H2,1H3/p+1