[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl-(3-morpholin-4-ium-4-ylpropyl)azanium

Systemtic Name: [5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl-(3-morpholin-4-ium-4-ylpropyl)azanium Openeye Name: [5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl-(3-morpholin-4-ium-4-ylpropyl)ammonium CAS Name: [5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl-[3-(4-morpholin-4-iumyl)propyl]ammonium IUPAC Name: [5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl-(3-morpholin-4-ium-4-ylpropyl)azanium Traditional Name: [5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl-(3-morpholin-4-ium-4-ylpropyl)ammonium Formula: C17H25ClN4O+2 MolecularWeight: 336.8596

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCC[NH2+]CC2=C(NN=C2)C3=CC=C(C=C3)Cl

Isomeric SMILES

C1COCC[NH+]1CCC[NH2+]CC2=C(NN=C2)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C17H23ClN4O/c18-16-4-2-14(3-5-16)17-15(13-20-21-17)12-19-6-1-7-22-8-10-23-11-9-22/h2-5,13,19H,1,6-12H2,(H,20,21)/p+2