(4-bromanyl-2-methyl-pyrazol-3-yl)-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]methanone

Systemtic Name: (4-bromanyl-2-methyl-pyrazol-3-yl)-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]methanone Openeye Name: (4-bromo-2-methyl-pyrazol-3-yl)-[4-[(E)-cinnamyl]piperazin-4-ium-1-yl]methanone CAS Name: (4-bromo-2-methyl-3-pyrazolyl)-[4-[(E)-3-phenylprop-2-enyl]-1-piperazin-4-iumyl]methanone IUPAC Name: (4-bromo-2-methylpyrazol-3-yl)-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]methanone Traditional Name: (4-bromo-2-methyl-pyrazol-3-yl)-[4-[(E)-cinnamyl]piperazin-4-ium-1-yl]methanone Formula: C18H22BrN4O+ MolecularWeight: 390.29748

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C=N1)Br)C(=O)N2CC[NH+](CC2)CC=CC3=CC=CC=C3

Isomeric SMILES

CN1C(=C(C=N1)Br)C(=O)N2CC[NH+](CC2)C/C=C/C3=CC=CC=C3

InChI

InChI=1S/C18H21BrN4O/c1-21-17(16(19)14-20-21)18(24)23-12-10-22(11-13-23)9-5-8-15-6-3-2-4-7-15/h2-8,14H,9-13H2,1H3/p+1/b8-5+