[3-[(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)methyl]phenyl]-(4-propylpiperazin-4-ium-1-yl)methanone

Systemtic Name: [3-[(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)methyl]phenyl]-(4-propylpiperazin-4-ium-1-yl)methanone Openeye Name: [3-[(4-bromo-3,5-dimethyl-pyrazol-1-yl)methyl]phenyl]-(4-propylpiperazin-4-ium-1-yl)methanone CAS Name: [3-[(4-bromo-3,5-dimethyl-1-pyrazolyl)methyl]phenyl]-(4-propyl-1-piperazin-4-iumyl)methanone IUPAC Name: [3-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]phenyl]-(4-propylpiperazin-4-ium-1-yl)methanone Traditional Name: [3-[(4-bromo-3,5-dimethyl-pyrazol-1-yl)methyl]phenyl]-(4-propylpiperazin-4-ium-1-yl)methanone Formula: C20H28BrN4O+ MolecularWeight: 420.36652

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H27BrN4O/c1-4-8-23-9-11-24(12-10-23)20(26)18-7-5-6-17(13-18)14-25-16(3)19(21)15(2)22-25/h5-7,13H,4,8-12,14H2,1-3H3/p+1