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

Systemtic Name: 2-morpholin-4-ium-4-ylethyl-[[3-phenyl-1-(phenylmethyl)pyrazol-4-yl]methyl]azanium Openeye Name: (1-benzyl-3-phenyl-pyrazol-4-yl)methyl-(2-morpholin-4-ium-4-ylethyl)ammonium CAS Name: 2-(4-morpholin-4-iumyl)ethyl-[[3-phenyl-1-(phenylmethyl)-4-pyrazolyl]methyl]ammonium IUPAC Name: (1-benzyl-3-phenylpyrazol-4-yl)methyl-(2-morpholin-4-ium-4-ylethyl)azanium Traditional Name: (1-benzyl-3-phenyl-pyrazol-4-yl)methyl-(2-morpholin-4-ium-4-ylethyl)ammonium Formula: C23H30N4O+2 MolecularWeight: 378.5105

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CC[NH2+]CC2=CN(N=C2C3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

C1COCC[NH+]1CC[NH2+]CC2=CN(N=C2C3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C23H28N4O/c1-3-7-20(8-4-1)18-27-19-22(23(25-27)21-9-5-2-6-10-21)17-24-11-12-26-13-15-28-16-14-26/h1-10,19,24H,11-18H2/p+2