[4-[(5-bromanylthiophen-2-yl)methyl]piperazin-4-ium-1-yl]-(4-pyrazol-1-ylphenyl)methanone

Systemtic Name: [4-[(5-bromanylthiophen-2-yl)methyl]piperazin-4-ium-1-yl]-(4-pyrazol-1-ylphenyl)methanone Openeye Name: [4-[(5-bromo-2-thienyl)methyl]piperazin-4-ium-1-yl]-(4-pyrazol-1-ylphenyl)methanone CAS Name: [4-[(5-bromo-2-thiophenyl)methyl]-1-piperazin-4-iumyl]-[4-(1-pyrazolyl)phenyl]methanone IUPAC Name: [4-[(5-bromothiophen-2-yl)methyl]piperazin-4-ium-1-yl]-(4-pyrazol-1-ylphenyl)methanone Traditional Name: [4-[(5-bromo-2-thienyl)methyl]piperazin-4-ium-1-yl]-(4-pyrazol-1-ylphenyl)methanone Formula: C19H20BrN4OS+ MolecularWeight: 432.3573

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=C(S2)Br)C(=O)C3=CC=C(C=C3)N4C=CC=N4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=C(S2)Br)C(=O)C3=CC=C(C=C3)N4C=CC=N4

InChI

InChI=1S/C19H19BrN4OS/c20-18-7-6-17(26-18)14-22-10-12-23(13-11-22)19(25)15-2-4-16(5-3-15)24-9-1-8-21-24/h1-9H,10-14H2/p+1