[4-[(4-chloranylpyrazol-1-yl)methyl]phenyl]-(4-propylpiperazin-4-ium-1-yl)methanone

Systemtic Name: [4-[(4-chloranylpyrazol-1-yl)methyl]phenyl]-(4-propylpiperazin-4-ium-1-yl)methanone Openeye Name: [4-[(4-chloropyrazol-1-yl)methyl]phenyl]-(4-propylpiperazin-4-ium-1-yl)methanone CAS Name: [4-[(4-chloro-1-pyrazolyl)methyl]phenyl]-(4-propyl-1-piperazin-4-iumyl)methanone IUPAC Name: [4-[(4-chloropyrazol-1-yl)methyl]phenyl]-(4-propylpiperazin-4-ium-1-yl)methanone Traditional Name: [4-[(4-chloropyrazol-1-yl)methyl]phenyl]-(4-propylpiperazin-4-ium-1-yl)methanone Formula: C18H24ClN4O+ MolecularWeight: 347.86236

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+]1CCN(CC1)C(=O)C2=CC=C(C=C2)CN3C=C(C=N3)Cl

Isomeric SMILES

CCC[NH+]1CCN(CC1)C(=O)C2=CC=C(C=C2)CN3C=C(C=N3)Cl

InChI

InChI=1S/C18H23ClN4O/c1-2-7-21-8-10-22(11-9-21)18(24)16-5-3-15(4-6-16)13-23-14-17(19)12-20-23/h3-6,12,14H,2,7-11,13H2,1H3/p+1