[5-(4-bromophenyl)-1,2-oxazol-3-yl]-[4-(2-pyridin-4-ylethyl)piperazin-4-ium-1-yl]methanone

Systemtic Name: [5-(4-bromophenyl)-1,2-oxazol-3-yl]-[4-(2-pyridin-4-ylethyl)piperazin-4-ium-1-yl]methanone Openeye Name: [5-(4-bromophenyl)isoxazol-3-yl]-[4-[2-(4-pyridyl)ethyl]piperazin-4-ium-1-yl]methanone CAS Name: [5-(4-bromophenyl)-3-isoxazolyl]-[4-(2-pyridin-4-ylethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: [5-(4-bromophenyl)-1,2-oxazol-3-yl]-[4-(2-pyridin-4-ylethyl)piperazin-4-ium-1-yl]methanone Traditional Name: [5-(4-bromophenyl)isoxazol-3-yl]-[4-[2-(4-pyridyl)ethyl]piperazin-4-ium-1-yl]methanone Formula: C21H22BrN4O2+ MolecularWeight: 442.32898

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCC2=CC=NC=C2)C(=O)C3=NOC(=C3)C4=CC=C(C=C4)Br

Isomeric SMILES

C1CN(CC[NH+]1CCC2=CC=NC=C2)C(=O)C3=NOC(=C3)C4=CC=C(C=C4)Br

InChI

InChI=1S/C21H21BrN4O2/c22-18-3-1-17(2-4-18)20-15-19(24-28-20)21(27)26-13-11-25(12-14-26)10-7-16-5-8-23-9-6-16/h1-6,8-9,15H,7,10-14H2/p+1