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

Systemtic Name: methyl-[[1-methyl-3-(4-phenoxyphenyl)pyrazol-4-yl]methyl]-(3-morpholin-4-ylpropyl)azanium Openeye Name: methyl-[[1-methyl-3-(4-phenoxyphenyl)pyrazol-4-yl]methyl]-(3-morpholinopropyl)ammonium CAS Name: methyl-[[1-methyl-3-(4-phenoxyphenyl)-4-pyrazolyl]methyl]-[3-(4-morpholinyl)propyl]ammonium IUPAC Name: methyl-[[1-methyl-3-(4-phenoxyphenyl)pyrazol-4-yl]methyl]-(3-morpholin-4-ylpropyl)azanium Traditional Name: methyl-[[1-methyl-3-(4-phenoxyphenyl)pyrazol-4-yl]methyl]-(3-morpholinopropyl)ammonium Formula: C25H33N4O2+ MolecularWeight: 421.55512

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=N1)C2=CC=C(C=C2)OC3=CC=CC=C3)C[NH+](C)CCCN4CCOCC4

Isomeric SMILES

CN1C=C(C(=N1)C2=CC=C(C=C2)OC3=CC=CC=C3)C[NH+](C)CCCN4CCOCC4

InChI

InChI=1S/C25H32N4O2/c1-27(13-6-14-29-15-17-30-18-16-29)19-22-20-28(2)26-25(22)21-9-11-24(12-10-21)31-23-7-4-3-5-8-23/h3-5,7-12,20H,6,13-19H2,1-2H3/p+1