[4-(morpholin-4-ium-4-ylmethyl)phenyl]methyl-[(1-phenyl-3-thiophen-2-yl-pyrazol-4-yl)methyl]azanium

Systemtic Name: [4-(morpholin-4-ium-4-ylmethyl)phenyl]methyl-[(1-phenyl-3-thiophen-2-yl-pyrazol-4-yl)methyl]azanium Openeye Name: [4-(morpholin-4-ium-4-ylmethyl)phenyl]methyl-[[1-phenyl-3-(2-thienyl)pyrazol-4-yl]methyl]ammonium CAS Name: [4-(4-morpholin-4-iumylmethyl)phenyl]methyl-[(1-phenyl-3-thiophen-2-yl-4-pyrazolyl)methyl]ammonium IUPAC Name: [4-(morpholin-4-ium-4-ylmethyl)phenyl]methyl-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methyl]azanium Traditional Name: [4-(morpholin-4-ium-4-ylmethyl)benzyl]-[[1-phenyl-3-(2-thienyl)pyrazol-4-yl]methyl]ammonium Formula: C26H30N4OS+2 MolecularWeight: 446.6076

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CC2=CC=C(C=C2)C[NH2+]CC3=CN(N=C3C4=CC=CS4)C5=CC=CC=C5

Isomeric SMILES

C1COCC[NH+]1CC2=CC=C(C=C2)C[NH2+]CC3=CN(N=C3C4=CC=CS4)C5=CC=CC=C5

InChI

InChI=1S/C26H28N4OS/c1-2-5-24(6-3-1)30-20-23(26(28-30)25-7-4-16-32-25)18-27-17-21-8-10-22(11-9-21)19-29-12-14-31-15-13-29/h1-11,16,20,27H,12-15,17-19H2/p+2