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

Systemtic Name: methyl-[[1-methyl-3-(4-phenoxyphenyl)pyrazol-4-yl]methyl]-(4-morpholin-4-ylbutyl)azanium Openeye Name: methyl-[[1-methyl-3-(4-phenoxyphenyl)pyrazol-4-yl]methyl]-(4-morpholinobutyl)ammonium CAS Name: methyl-[[1-methyl-3-(4-phenoxyphenyl)-4-pyrazolyl]methyl]-[4-(4-morpholinyl)butyl]ammonium IUPAC Name: methyl-[[1-methyl-3-(4-phenoxyphenyl)pyrazol-4-yl]methyl]-(4-morpholin-4-ylbutyl)azanium Traditional Name: methyl-[[1-methyl-3-(4-phenoxyphenyl)pyrazol-4-yl]methyl]-(4-morpholinobutyl)ammonium Formula: C26H35N4O2+ MolecularWeight: 435.5817

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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)CCCCN4CCOCC4

Isomeric SMILES

CN1C=C(C(=N1)C2=CC=C(C=C2)OC3=CC=CC=C3)C[NH+](C)CCCCN4CCOCC4

InChI

InChI=1S/C26H34N4O2/c1-28(14-6-7-15-30-16-18-31-19-17-30)20-23-21-29(2)27-26(23)22-10-12-25(13-11-22)32-24-8-4-3-5-9-24/h3-5,8-13,21H,6-7,14-20H2,1-2H3/p+1