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

Systemtic Name: 3-morpholin-4-ium-4-ylpropyl-[[3-phenyl-1-(phenylmethyl)pyrazol-4-yl]methyl]azanium Openeye Name: (1-benzyl-3-phenyl-pyrazol-4-yl)methyl-(3-morpholin-4-ium-4-ylpropyl)ammonium CAS Name: 3-(4-morpholin-4-iumyl)propyl-[[3-phenyl-1-(phenylmethyl)-4-pyrazolyl]methyl]ammonium IUPAC Name: (1-benzyl-3-phenylpyrazol-4-yl)methyl-(3-morpholin-4-ium-4-ylpropyl)azanium Traditional Name: (1-benzyl-3-phenyl-pyrazol-4-yl)methyl-(3-morpholin-4-ium-4-ylpropyl)ammonium Formula: C24H32N4O+2 MolecularWeight: 392.53708

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H30N4O/c1-3-8-21(9-4-1)19-28-20-23(24(26-28)22-10-5-2-6-11-22)18-25-12-7-13-27-14-16-29-17-15-27/h1-6,8-11,20,25H,7,12-19H2/p+2